SCHEMBL96814

SCHEMBL96814

O=[C]c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC22A12 Q96S37 3/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
HCAR1 Q9BXC0 1/20 0.35
HSD11B1 P28845 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL17103447 0.84 FFAR1 (0.35) FFAR1
SCHEMBL17103407 0.84 FFAR1 (0.35) FFAR1
SCHEMBL17103192 0.81 FFAR1 (0.33) FFAR1
SCHEMBL6222483 0.79 KCNH2 (0.34) FFAR1GAAALDH1A1POLBNPSR1
SCHEMBL29891014 0.79 FFAR1 (0.42) FFAR1GAARXRARXRBRXRG
SCHEMBL10519027 0.79 FFAR1 (0.42) FFAR1GAARXRARXRBRXRG
SCHEMBL4292100 0.79 FFAR1 (0.42) FFAR1GAARXRARXRBRXRG
SCHEMBL103547 0.79 GAA (0.46) FFAR1GAAALDH1A1SLC22A12POLB
SCHEMBL4654446 0.77 RXRA (0.47) GAARXRARXRBRXRGALDH1A1
SCHEMBL17974963 0.76 FFAR1 (0.47) FFAR1GAARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-8604046-B2 Substituted piperidine spiro pyrrolidinone and piperidinone, preparation and therapeutic use thereof SANOFI (FR) 2013-12-10 US claimed
EP-2373652-B1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONES USED AS H3 MODULATORS SANOFI SA (FR) 2013-10-09 EP claimed
US-20120258979-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-11 US claimed
US-8227481-B2 Substituted piperidine spiro pyrrolidinone and piperidinone, preparation and therapeutic use thereof SANOFI (FR) 2012-07-24 US claimed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 EP claimed
US-20110257213-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-10-20 US claimed
EP-2373652-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONES USED AS H3 MODULATORS SANOFI (FR) 2011-10-12 EP claimed
CN-1188404-C Cyclic compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-09 CN claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP claimed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO claimed
CN-1425010-A Cyclic compound FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
EP-1030840-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 2000-08-30 EP claimed
WO-1999025686-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 1999-05-27 WO 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 (4 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-20110257213-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HRH4, PRLHR FFAR1 62/4885GAA 4125/4885RXRA 870/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 FFAR1 1577/4885GAA 946/4885RXRA 359/4885
US-20120258979-A1 SUBSTITUTED PIPERIDINE SPIRO PYRROLIDINONE AND PIPERIDINONE, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HRH4, PRLHR FFAR1 62/4885GAA 4125/4885RXRA 870/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD FFAR1 2553/4885GAA 1566/4885RXRA 2275/4885

“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.