SCHEMBL58240

SCHEMBL58240

COCC=Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AKT1 P31749 1/20 0.48
HTR2A P28223 3/20 0.48
TRPA1 O75762 2/20 0.48
PAM P19021 1/20 0.47
OPRM1 P35372 1/20 0.45
MAOB P27338 1/20 0.44
RELA Q04206 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL792985 1.00 IDO1 (0.63) IDO1MEN1KMT2AAKT1HTR2A
SCHEMBL7592958 1.00 IDO1 (0.63) IDO1MEN1KMT2AAKT1HTR2A
Propene SCHEMBL7165211 0.92 IDO1 (0.55) IDO1MEN1KMT2AAKT1HTR2A
SCHEMBL9615559 0.87 MEN1 (0.57) IDO1MEN1KMT2AAKT1HTR2A
SCHEMBL29137842 0.84 APP (0.49) IDO1MEN1KMT2AAKT1RELA
SCHEMBL1657285 0.83 IDO1 (0.59) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL1657284 0.83 IDO1 (0.59) IDO1MEN1KMT2AHTR2ATRPA1
SCHEMBL430935 0.81 IDO1 (0.68) IDO1HTR2APAMMAOB
SCHEMBL430934 0.81 IDO1 (0.68) IDO1HTR2APAMMAOB
SCHEMBL452602 0.81 IDO1 (0.68) IDO1MEN1KMT2AHTR2APAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795378-B2 Iron control composition, make, and use in carbonate stimulation KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-10-24 US claimed
CN-108645925-B Method for detecting related substances in cinnamyl octane related products through high performance liquid chromatography 东北制药集团股份有限公司 2020-08-25 CN claimed
US-20200140747-A1 Compositions and Methods for Corrosion Inhibition HALLIBURTON ENERGY SERVICES, INC. (US) 2020-05-07 US claimed
CN-107311844-A The synthesis of m-trifluoromethyl phenylpropanol 六安佳诺生化科技有限公司 2017-11-03 CN claimed
CN-104072035-B A kind of high compressive strength concrete and preparation method thereof BENGBU EAST CHINA GYPSUM CO., LTD. (CN) 2015-12-02 CN claimed
US-7803846-B2 Highly durable polymer electrolytic membrane for a fuel cell having a cross-linked structure JAPAN ATOMIC ENERGY AGENCY (JP) 2010-09-28 US claimed
CN-100506873-C Radiation cured polyurethanes with capped amino groups BASF AG (DE) 2009-07-01 CN claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed
CN-100390261-C Compositions comprising photo-labile perfume delivery systems PROCTER & GAMBLE (US) 2008-05-28 CN claimed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US claimed
CN-1553948-A Compositions comprising photo-labile perfume delivery systems 2004-12-08 CN claimed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US claimed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 WO claimed
WO-2002004528-A2 FRAGMENTABLE CATALYST SUPPORT MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-01-17 WO claimed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP claimed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP claimed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP claimed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO claimed
US-4994539-A Ethylene-unsaturated aromatic copolymer NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-19 US claimed
US-3943943-A Cinnamic derivatives as tobacco additives LIGGETT & MYERS INCORPORATED (US) 1976-03-16 US claimed

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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB IDO1 45/4885MEN1 4396/4885KMT2A 859/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB IDO1 103/4885MEN1 4647/4885KMT2A 756/4885

“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.