SCHEMBL331986

SCHEMBL331986

COc1c(C(C)(C)C=O)ccc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 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
SCHEMBL331830 0.82 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL3532638 0.77 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL331385 0.76 NR3C1 (0.39) MEP1B
SCHEMBL331936 0.75
SCHEMBL331667 0.74 ALOX5AP (0.34) KDM4EALDH1A1HSD17B10ALOX5APFEN1
SCHEMBL3532329 0.73 CTSS (0.36) TAS1R3TAS1R1TAS1R2KMT2AGAA
SCHEMBL4595685 0.73 CA1 (0.44) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL332047 0.71 ALDH1A1 (0.39) MEP1BKDM4EALDH1A1HSD17B10FEN1
SCHEMBL16019364 0.70 ALOX5AP (0.41) MEP1BKDM4EALDH1A1HSD17B10ALOX5AP
SCHEMBL3537921 0.70 ERN1 (0.40) KDM4EALDH1A1HSD17B10HTR2AHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 US disclosed
CN-1889947-A Tetrahydronaphthalene derivatives, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-03 CN disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 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 (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-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B MEP1B 1693/4885KDM4E 3431/4885ALDH1A1 261/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B MEP1B 1693/4885KDM4E 3431/4885ALDH1A1 261/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B MEP1B 1693/4885KDM4E 3431/4885ALDH1A1 261/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES MEP1B 1222/4885KDM4E 3612/4885ALDH1A1 280/4885

“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.