SCHEMBL828611

SCHEMBL828611

CCCC(C)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G4B P0C869 2/20 0.42
TP53 P04637 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 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
SCHEMBL828610 0.93 TSHR (0.51) MAPTALDH1A1TSHRPDCD1CD274
SCHEMBL7870404 0.90 ALDH1A1 (0.57) MAPTALDH1A1TSHRMAPK1PLA2G4B
SCHEMBL29249814 0.89 ALDH1A1 (0.63) MAPTALDH1A1TSHRKMT2APLA2G4B
SCHEMBL443825 0.88 ALDH1A1 (0.54) ALDH1A1TSHRPDCD1CD274KMT2A
SCHEMBL9058141 0.88 PDCD1 (0.54) MAPTALDH1A1TSHRPDCD1CD274
SCHEMBL25953791 0.88 PDCD1 (0.54) MAPTALDH1A1TSHRPDCD1CD274
SCHEMBL8531561 0.87 ALDH1A1 (0.66) MAPTALDH1A1TSHRKMT2APLA2G4B
SCHEMBL9341800 0.87 ALDH1A1 (0.66) MAPTALDH1A1TSHRKMT2APLA2G4B
SCHEMBL29361058 0.87 ALDH1A1 (0.66) MAPTALDH1A1TSHRKMT2APLA2G4B
SCHEMBL8970835 0.86 CA12 (0.62) ALDH1A1TSHRMAPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP claimed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO claimed
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
CN-107257803-B Polymyxin antibacterial agents for the treatment of bacterial infections 上海盟科药业股份有限公司 2021-02-05 CN disclosed
US-10017448-B2 Process for hydrogenation of benzenepolycarboxylic acids and derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US disclosed
EP-3233889-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2017-10-25 EP disclosed
US-20170291867-A1 Improved Process for Hydrogenation of Benzenepolycarboxylic Acids and Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2017-10-12 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
WO-2004046076-A2 HYDROGENATION CATALYST, PREPARATION THEREOF AND HYDROGENATION PROCESSES USING THIS CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO disclosed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO disclosed
CN-1144821-C Procatalysts comprising bidentate ligands, catalyst systems, and use in olefin polymerization 伊斯曼化学公司 2004-04-07 CN disclosed
CN-1418227-A Procatalyst containing bidentate ligand, catalyst system and use thereof in olefin polymerization EASTMAN CHEM CO (US) 2003-05-14 CN disclosed
CN-1416440-A Procatalysts catalyst systems, and use in olefin polymerization EASTMAN CHEM CO (US) 2003-05-07 CN disclosed
CN-1416439-A Procatalysts including bidentate ligands, catalyst systems and their use in olefin polymerization EASTMAN CHEM CO (US) 2003-05-07 CN disclosed
CN-1394212-A Procatalysts comprising bidentate ligands, catalyst systems, and use in olefin polymerization EASTMAN CHEM CO (US) 2003-01-29 CN disclosed
CN-1367800-A Process for producing ethylene/olefin interpolymers EASTMAN CHEM CO (US) 2002-09-04 CN disclosed
CN-1367799-A Process for producing ethylene/olefin interpolymers EASTMAN CHEM CO (US) 2002-09-04 CN disclosed