SCHEMBL6578061

SCHEMBL6578061

CC(C)COC(=O)c1cc(C(=O)O)cc(C(=O)OCC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
GPR35 Q9HC97 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
JMJD6 Q6NYC1 1/20 0.43
SERPINE1 P05121 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6580266 0.92 ALDH1A1 (0.59) MAPTALDH1A1TSHRGPR35PLA2G1B
SCHEMBL10455395 0.86 ALDH1A1 (0.54) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL208053 0.85 MAPT (0.72) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL20644673 0.85 CA12 (0.58) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL27668058 0.83 MAPT (0.70) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL27668355 0.83 MAPT (0.70) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL27667939 0.83 MAPT (0.70) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL20834627 0.81 MAPT (0.54) MAPTALDH1A1TSHRPLA2G1BATG4B
SCHEMBL109308 0.81 ALDH1A1 (0.61) ALDH1A1TSHRPLA2G1BATG4BJMJD6
SCHEMBL39762 0.81 CA12 (0.63) ALDH1A1TSHRGPR35PLA2G1BATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100363323-C Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEM PATENTS INC (US) 2008-01-23 CN claimed
CN-1726179-A Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEM PATENTS INC (US) 2006-01-25 CN claimed
CN-107074725-A Benzene polycarboxylic acid and its improvement method for hydrogenation of derivative 埃克森美孚化学专利公司 2017-08-18 CN disclosed
CN-1962599-B Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using catalyst containing macropores BASF AG 2014-05-14 CN disclosed
US-8426636-B2 Sterically bulky stabilizers XEROX CORPORATION (US) 2013-04-23 US disclosed
US-20110277668-A1 STERICALLY BULKY STABILIZERS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
US-7985290-B2 Nonpolar liquid and solid phase change ink compositions comprising nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-07-26 US disclosed
US-20100319573-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-12-23 US disclosed
CN-100425345-C Hydrogenation catalyst, preparation thereof and hydrogenation processes using this catalyst EXXONMOBIL RES & ENG CO (US) 2008-10-15 CN disclosed
CN-100406428-C Process for hydrogenating benzenepolycarboxylic acids or derivatives thereof using catalysts containing macropores BASF AG (DE) 2008-07-30 CN disclosed
CN-100363323-C Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEM PATENTS INC (US) 2008-01-23 CN disclosed
CN-1717279-A Hydrogenation catalyst, preparation thereof and hydrogenation method using the catalyst EXXONMOBIL RES & ENG CO (US) 2006-01-04 CN disclosed
CN-1531459-A With Ru/SiO2Method for hydrogenating organic compounds with a catalyst �����ɷ� 2004-09-22 CN disclosed
EP-1412082-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF Aktiengesellschaft (DE) 2004-04-28 EP disclosed
EP-1314714-A2 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP disclosed
EP-1042273-B1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AG (DE) 2003-05-07 EP disclosed
WO-2002100536-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
CN-1285815-A Process for hydrogenating benzenepolycarboxylic acids or derivatives thereof using catalysts containing macropores BASF AG (DE) 2001-02-28 CN disclosed
EP-1042273-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-1999032427-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed