SCHEMBL1751400

SCHEMBL1751400

CC1=CCC(C)(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
GLI1 P08151 1/20 0.34
CYP3A4 P08684 1/20 0.34
GLI2 P10070 1/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAPK1 P28482 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL18466440 1.00 FFAR3 (0.44) FFAR3GLI1CYP3A4GLI2CCNT1
SCHEMBL3505753 0.84 GLI1 (0.34) FFAR3GLI1CYP3A4GLI2STAT3
SCHEMBL20446702 0.84 GLI1 (0.34) FFAR3GLI1CYP3A4GLI2STAT3
SCHEMBL29827658 0.79 SMN1; SMN2 (0.35) GLI1CYP3A4GLI2
SCHEMBL25905863 0.79 SMN1; SMN2 (0.35) GLI1CYP3A4GLI2
SCHEMBL10069349 0.79 FFAR3 (0.42) FFAR3HSD11B1MAPK1
SCHEMBL21181627 0.78 FFAR3 (0.43) FFAR3CCNT1CDK9
SCHEMBL13185545 0.77 FFAR3 (0.41) FFAR3CCNT1CDK9MAPK1
SCHEMBL11145508 0.77 GLI1 (0.30) GLI1CYP3A4GLI2
SCHEMBL16884655 0.76 FFAR3 (0.40) FFAR3CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093840-B1 PROCESS FOR THE PREPARATION OF KETONIC COMPOUNDS FIRMENICH SA (CH) 1985-05-22 EP claimed
JP-4226943-A None JP disclosed
EP-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9487490-B2 3-cyclohexenyl and cyclohexyl substituted indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
EP-1914256-A1 COMPOSITION, ACTINIC ENERGY RADIATION HARDENABLE COMPOSITION AND EPOXY COMPOUND Konica Minolta Medical & Graphic, Inc. (JP) 2008-04-23 EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO disclosed
US-7244473-B2 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-07-17 US disclosed
US-20070054974-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-03-08 US disclosed
US-20060264529-A1 ACTIVE ENERGY RAY CURABLE COMPOSITION KONICA MINOLTA HOLDINGS, INC. (JP) 2006-11-23 US disclosed
US-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2004-12-09 US disclosed
US-20040167315-A1 Active energy ray curable composition KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-26 US disclosed
JP-H04226943-A (+)-(R)METHYL 1,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLATE, METHOD FOR IMPARTING AROMA CHARACTERISTIC TO PERFUME COMPOSITION AND CONSUMABLE MATERIAL AND ENHANCING OR REFORMING THE SAME AND PRODUCTION OF PERFUME COMPOSITION, CONSUMABLE MATERIAL AND NEW COMPOUND FIRMENICH SA 1992-08-17 JP disclosed
EP-0093840-B1 PROCESS FOR THE PREPARATION OF KETONIC COMPOUNDS FIRMENICH SA (CH) 1985-05-22 EP disclosed
EP-0093840-A1 Process for the preparation of ketonic compounds FIRMENICH SA (CH) 1983-11-16 EP 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 (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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR FFAR3 2223/4885GLI1 2351/4885CYP3A4 1069/4885
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA FFAR3 610/4885GLI1 108/4885CYP3A4 369/4885
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK FFAR3 3313/4885GLI1 4407/4885CYP3A4 1425/4885
US-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound JAK1, INO80, ROR1 FFAR3 3028/4885GLI1 97/4885CYP3A4 2590/4885

“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.