SCHEMBL765343

SCHEMBL765343

Cc1sccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 1/20 0.31
MPL P40238 2/20 0.31

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
SCHEMBL10119790 0.77 CA2 (0.39) ALDH1A1TDP1MAPTKDM4E
SCHEMBL15352797 0.72 ALDH1A1 (0.35) ALDH1A1TDP1CTNNB1WNT3AGAA
SCHEMBL15242418 0.71 ALDH1A1 (0.33) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL3701609 0.70 ALDH1A1 (0.34) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL22591301 0.70 ALDH1A1 (0.35) ALDH1A1TDP1CTNNB1WNT3AGAA
SCHEMBL15674825 0.70 ALDH1A1 (0.41) ALDH1A1TDP1CTNNB1WNT3AGAA
SCHEMBL15979644 0.70 ALDH1A1 (0.32) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL15352502 0.70 CTNNB1 (0.34) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL28783014 0.68 ALDH1A1 (0.33) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL599517 0.67 PDE2A (0.32) ALDH1A1TDP1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 EP disclosed
WO-2019052557-A1 μ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE 上海华汇拓医药科技有限公司 2019-03-21 WO disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9795550-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2017-10-24 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-9730447-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-15 US disclosed
US-9730447-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-15 US disclosed
EP-2867228-B1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES DU PONT (US) 2017-07-26 EP disclosed
EP-2216332-A1 2-Alkyl-cycloalk(en)yl-carboxamides and their use as fungizides Bayer CropScience AG (DE) 2010-08-11 EP disclosed
EP-2098120-A2 2-alkyl-cycloalk(en) yl-carboxamides Bayer CropScience AG (DE) 2009-09-09 EP disclosed
US-20090192172-A1 2-Alkyl-Cycloalk(en)yl-Carboxamides BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20090192172-A1 2-Alkyl-Cycloalk(en)yl-Carboxamides BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
CN-101296892-A PPAR active compounds PLEXXIKON INC (US) 2008-10-29 CN disclosed
US-7273919-B1 High heat polyethersulfone compositions GENERAL ELECTRIC COMPANY (US) 2007-09-25 US disclosed
US-7273919-B1 High heat polyethersulfone compositions GENERAL ELECTRIC COMPANY (US) 2007-09-25 US disclosed
US-20070219344-A1 HIGH HEAT POLYETHERSULFONE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2007-09-20 US disclosed
US-20070219344-A1 HIGH HEAT POLYETHERSULFONE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2007-09-20 US 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 (2 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-20090192172-A1 2-Alkyl-Cycloalk(en)yl-Carboxamides DCXR, CYCS, MRPL21 ALDH1A1 1840/4885TDP1 2762/4885CTNNB1 4096/4885
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH ALDH1A1 1277/4885TDP1 2547/4885CTNNB1 3551/4885

“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.