SCHEMBL10890657

SCHEMBL10890657

CCc1cccc(OO)c1CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 2/20 0.36
HTR1A P08908 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
PPARA Q07869 2/20 0.35
NLRP3 Q96P20 1/20 0.33
PPARG P37231 1/20 0.33
TP53 P04637 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
SCHEMBL10916615 0.85 GABRA1 (0.46) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL3715197 0.81 ALOX5 (0.44) GABRA1GABRB2MAPTL3MBTL1TAAR1
SCHEMBL31395428 0.81 ALOX5 (0.44) GABRA1GABRB2MAPTL3MBTL1TAAR1
SCHEMBL216250 0.80 L3MBTL1 (0.53) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL29580903 0.80 GABRA1 (0.43) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL988680 0.80 GABRA1 (0.43) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL8715179 0.79 GABRA1 (0.41) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL10880241 0.79 GABRA1 (0.41) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL8926553 0.79 GABRA1 (0.41) GABRA1GABRB2MAPTL3MBTL1NPSR1
SCHEMBL9474531 0.79 GABRA1 (0.46) GABRA1GABRB2MAPTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169210-A Oxidation of diethylbenzenes COSDEN TECHNOLOGY, INC. (US) 1979-09-25 US claimed
US-4071569-A CLEAVING ALKYLBENZENE HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-31 US claimed
US-3996111-A DISTILLATION LABOFINA S.A. (BE) 1976-12-07 US claimed
US-3969421-A MULTISTAGE, OXIDATION OF DIETHYLBENZENE LABOFINA S.A. (BE) 1976-07-13 US claimed
US-3937739-A OXIDATION, DIETHYLBENZENE, DIETHYLBENZENE HYDROPEROXIDE, SUPERBASIC SULFONATES LABOFINA S. A. (BE) 1976-02-10 US claimed
EP-0084417-B1 PRODUCTION OF AROMATIC CARBONYL COMPOUNDS INCLUDING NOVEL ACETOPHENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-05-07 EP disclosed
EP-0077749-B1 PROCESS FOR PREPARING A METHYL PHENOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-12-18 EP disclosed
US-4486605-A DECOMPOSITION OF HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-04 US disclosed
EP-0084417-A1 Production of aromatic carbonyl compounds including novel acetophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-27 EP disclosed
US-4169210-A Oxidation of diethylbenzenes COSDEN TECHNOLOGY, INC. (US) 1979-09-25 US disclosed
US-4169210-A Oxidation of diethylbenzenes COSDEN TECHNOLOGY, INC. (US) 1979-09-25 US disclosed
US-4071569-A CLEAVING ALKYLBENZENE HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-31 US disclosed
US-3996111-A DISTILLATION LABOFINA S.A. (BE) 1976-12-07 US disclosed
US-3996111-A DISTILLATION LABOFINA S.A. (BE) 1976-12-07 US disclosed
US-3996111-A DISTILLATION LABOFINA S.A. (BE) 1976-12-07 US disclosed
US-3969421-A MULTISTAGE, OXIDATION OF DIETHYLBENZENE LABOFINA S.A. (BE) 1976-07-13 US disclosed
US-3969421-A MULTISTAGE, OXIDATION OF DIETHYLBENZENE LABOFINA S.A. (BE) 1976-07-13 US disclosed
US-3937739-A OXIDATION, DIETHYLBENZENE, DIETHYLBENZENE HYDROPEROXIDE, SUPERBASIC SULFONATES LABOFINA S. A. (BE) 1976-02-10 US disclosed
US-3923909-A Oxidation of diethylbenzenes LABOFINA SA 1975-12-02 US disclosed