SCHEMBL829282

SCHEMBL829282

CCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O)cc1C(=O)OCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 2/20 0.64
CYP3A4 P08684 1/20 0.64
MAPK1 P28482 1/20 0.64
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PLA2G4B P0C869 1/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54

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
SCHEMBL587097 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL829228 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL10004772 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7078308 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL828469 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL829039 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL828217 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL160865 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL17967704 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL828969 1.00 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US claimed
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
US-10017448-B2 Process for hydrogenation of benzenepolycarboxylic acids and derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US disclosed
US-20170291867-A1 Improved Process for Hydrogenation of Benzenepolycarboxylic Acids and Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2017-10-12 US disclosed
EP-3212605-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2017-09-06 EP disclosed
WO-2016066410-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-05-06 WO disclosed
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP disclosed
US-8203017-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-06-19 US disclosed
US-8143438-B2 Hydrogenation processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-27 US disclosed
EP-1578712-A2 HYDROGENATION CATALYST, PREPARATION THEREOF AND HYDROGENATION PROCESSES USING THIS CATALYST ExxonMobil Research and Engineering Company (US) 2005-09-28 EP disclosed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP disclosed
US-6888021-B2 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-20040199033-A1 Method for hydrogenating organic compounds by means of ru/sio2 catalysts BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 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
US-20020019559-A1 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BRUNNER MELANIE (DE) 2002-02-14 US disclosed
US-6284917-B1 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed