SCHEMBL3689455

SCHEMBL3689455

Cn1nc(-c2cc(C(=O)O)c(Cl)cc2F)c(Br)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.36
NTRK1 P04629 4/20 0.33
KDM4C Q9H3R0 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14489535 0.91 PLAU (0.33) RORCNTRK1PLAUELANEGAA
SCHEMBL4067277 0.89 NTRK1 (0.37) RORCNTRK1KDM4CMEN1KMT2A
SCHEMBL8546587 0.87 RORC (0.36) RORCNTRK1KDM4CSCN9A
SCHEMBL38910 0.85 ALDH1A1 (0.33) GAAMEN1KMT2A
SCHEMBL7561296 0.85 ALDH1A1 (0.33) GAAMEN1KMT2A
SCHEMBL30750946 0.85 ALDH1A1 (0.33) GAAMEN1KMT2A
SCHEMBL8547354 0.84 RORC (0.34) RORCNTRK1
SCHEMBL8591054 0.84 RORC (0.38) RORCNTRK1SCN9A
SCHEMBL8593704 0.84 RORC (0.38) RORCNTRK1SCN9A
SCHEMBL8589638 0.84 RORC (0.34) RORCNTRK1SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836072-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT Dongbu Farm Hannong Co., Ltd. (KR) 2015-02-18 EP claimed
US-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2015-01-22 US claimed
WO-2013154396-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2013-10-17 WO claimed
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US claimed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US claimed
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2005-12-22 US claimed
US-20050260727-A1 Crystal structure of the mitochondrial protoporphyrinogen IX oxidase BAYER CROPSCIENCE AG (DE) 2005-11-24 US claimed
EP-1584676-A1 Crystal structure of mitochondrial protoporphyrinogen IX oxidase Bayer CropScience AG (DE) 2005-10-12 EP claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US claimed
US-6849578-B1 Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 US claimed
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 US claimed
CN-1509141-A Herbicides based on substituted aryl ketones �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-06-30 CN claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US claimed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN claimed
EP-0772598-B1 PREPARATION OF HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS MONSANTO TECHNOLOGY LLC (US) 2002-02-06 EP claimed
CN-1159187-A Heterocyclic-and carbocyclic-substituted benzoic acids and synthesis thereof MONSANTO CO (US) 1997-09-10 CN claimed
US-5587485-A CATALYTIC OXIDATION OF THE CORRESPONDING ALKYL SUBSTITUTED BENZENE COMPOUND MONSANTO COMPANY (US) 1996-12-24 US claimed
US-20260120816-A1 PREDICTION METHOD FOR PROTOPORPHYRINOGEN OXIDASE (PPO) INHIBITOR PAN ADVANCED BUSINESS RESEARCH, LLC (JP) 2026-04-30 US disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-10206399-B2 Herbicidal composition comprising uracil compound as active ingredient DONGBU FARM HANNONG CO., LTD. (KR) 2019-02-19 US disclosed
EP-2323481-B1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL CHEMICALS INT BV (NL) 2018-11-28 EP disclosed
EP-2836072-B1 HERBICIDAL COMPOSITION COMPRISING AN URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO LTD (KR) 2018-11-21 EP disclosed
US-9907303-B2 Viscoelastic system for drift reduction AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2018-03-06 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
US-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL N.V. (NL) 2015-07-23 US disclosed
US-8993629-B2 Viscoelastic system for drift reduction AKZO NOBEL N.V. (NL) 2015-03-31 US disclosed
EP-2836072-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT Dongbu Farm Hannong Co., Ltd. (KR) 2015-02-18 EP disclosed
CN-103450084-B Preparation method of fluazolate as herbicide UNIV XIAMEN 2015-01-28 CN disclosed
US-8673819-B2 Surfactant blends useful in agriculture AKZO NOBEL N.V. (NL) 2014-03-18 US disclosed
WO-2013154396-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2013-10-17 WO disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
WO-2010026127-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL N.V. (NL) 2010-03-11 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US disclosed
US-7329770-B2 Esters as useful broad spectrum herbicidal compounds CORET JOEL MARCEL 2008-02-12 US disclosed
US-7202196-B2 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2007-04-10 US disclosed
US-7115543-B2 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER CROPSCIENCE AG (DE) 2006-10-03 US disclosed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US disclosed
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2005-12-22 US disclosed
US-20050260727-A1 Crystal structure of the mitochondrial protoporphyrinogen IX oxidase BAYER CROPSCIENCE AG (DE) 2005-11-24 US disclosed
EP-1584676-A1 Crystal structure of mitochondrial protoporphyrinogen IX oxidase Bayer CropScience AG (DE) 2005-10-12 EP disclosed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US disclosed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US disclosed
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative BAYER CROPSCIENCE AG (DE) 2005-04-21 US disclosed
US-6849578-B1 Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-6841517-B1 Selective herbicides on basis of N-aryl-triazoline(thi)ones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
US-6821926-B1 SYNERGISTIC ACTIVE COMPOUND COMBINATIONS WITH BUTAFENACIL-ALLYL BAYER AKTIENGESELLSCHAFT (DE) 2004-11-23 US disclosed
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 US disclosed
CN-1509141-A Herbicides based on substituted aryl ketones �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-06-30 CN disclosed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US disclosed
US-6734139-B1 N-aryl-uracile-based herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US disclosed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN disclosed
EP-0772598-B1 PREPARATION OF HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS MONSANTO TECHNOLOGY LLC (US) 2002-02-06 EP disclosed
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
US-6121458-A ACYLATION, HALOGENATION, ALKYLATION, CATALYTIC OXIDATION, AND ESTERIFICATION; CYCLIZATION AND CONDENSATION WITH HYDRAZINE MONSANTO COMPANY (US) 2000-09-19 US disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed
US-5986104-A ESTERIFICATION OF ACID COMPOUNDS FORMED BY OXIDATION OF METHYL GROUPS TO FORM HERBICIDES MONSANTO COMPANY (US) 1999-11-16 US disclosed
US-5973164-A Preparation of substituted 3-aryl-5-haloalkyl-pyrazoles having herbicidal activity MONSANTO COMPANY (US) 1999-10-26 US disclosed
US-5969153-A CONDENSING A PHENYL DIKETONE WITH HYDRAZINE IN SOLVENT, THEN ALKYLATION MONSANTO COMPANY (US) 1999-10-19 US disclosed
EP-0923520-A2 PREPARATION OF SUBSTITUTED 3-ARYL-5-HALOALKYL-PYRAZOLES HAVING HERBICIDAL ACTIVITY MONSANTO COMPANY (US) 1999-06-23 EP disclosed
EP-0846105-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1998-06-10 EP disclosed
WO-1997048668-A2 PREPARATION OF SUBSTITUTED 3-ARYL-5-HALOALKYL-PYRAZOLES HAVING HERBICIDAL ACTIVITY MONSANTO COMPANY (US) 1997-12-24 WO disclosed
US-5668088-A Herbicidal substituted 3-aryl-pyrazoles MONSANTO COMPANY (US) 1997-09-16 US disclosed
CN-1159187-A Heterocyclic-and carbocyclic-substituted benzoic acids and synthesis thereof MONSANTO CO (US) 1997-09-10 CN disclosed
EP-0772598-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1997-05-14 EP disclosed
US-5587485-A CATALYTIC OXIDATION OF THE CORRESPONDING ALKYL SUBSTITUTED BENZENE COMPOUND MONSANTO COMPANY (US) 1996-12-24 US disclosed
WO-1996040643-A1 HERBICIDAL SUBSTITUTED 3-ARYL-PYRAZOLES MONSANTO COMPANY (US) 1996-12-19 WO disclosed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US disclosed
WO-1996002515-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO disclosed
WO-1996002515-A1 HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 RORC 1554/4885NTRK1 2038/4885KDM4C 283/4885
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides AADAC, CBR3, ABAT RORC 2247/4885NTRK1 1669/4885KDM4C 528/4885
US-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION ACHE, PTMS, SGMS2 RORC 4863/4885NTRK1 4504/4885KDM4C 2172/4885
US-20050282708-A1 Novel esters as useful herbicidal compounds NOTUM, DDT, HDHD5 RORC 1943/4885NTRK1 2559/4885KDM4C 583/4885
US-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT UNG, DDT, HDHD5 RORC 3745/4885NTRK1 4621/4885KDM4C 543/4885
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 RORC 1844/4885NTRK1 2358/4885KDM4C 716/4885
US-20260120816-A1 PREDICTION METHOD FOR PROTOPORPHYRINOGEN OXIDASE (PPO) INHIBITOR PPOX, PNPO, PPIB RORC 2501/4885NTRK1 4383/4885KDM4C 3206/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 RORC 1676/4885NTRK1 2069/4885KDM4C 176/4885
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 RORC 1844/4885NTRK1 2358/4885KDM4C 716/4885
US-20040171488-A1 N-aryl-uracils based Herbicides DDT, UNG, DDC RORC 2903/4885NTRK1 3299/4885KDM4C 285/4885
US-20050085388-A1 Selective herbicide comprising a tetrazolinone derivative DDT, DYRK4, DYRK3 RORC 1179/4885NTRK1 1400/4885KDM4C 1724/4885
US-10206399-B2 Herbicidal composition comprising uracil compound as active ingredient UNG, DDT, HDHD5 RORC 3745/4885NTRK1 4621/4885KDM4C 543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.