SCHEMBL828867

SCHEMBL828867

CCCCC(CC)COC(=O)c1ccc(C(=O)O)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.85
TSHR P16473 6/20 0.85
MAPK1 P28482 4/20 0.85
CYP3A4 P08684 4/20 0.69
CA2 P00918 1/20 0.69
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
LMNA P02545 4/20 0.60
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.41
RECQL P46063 1/20 0.40
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL29659258 0.96 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4141137 0.96 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL174632 0.96 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL27631103 0.95 ALDH1A1 (0.77) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL4267217 0.94 ALDH1A1 (0.84) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL34167 0.92 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL29351184 0.92 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
Benzoic Acid SCHEMBL15942086 0.92 ALDH1A1 (0.84) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL22440166 0.91 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL30487205 0.91 ALDH1A1 (0.88) ALDH1A1TSHRMAPK1CYP3A4CA2

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 41 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
EP-3710509-B1 THE METHOD FOR THE PREPARATION OF LOW AND/OR MEDIUM MOLECULAR WEIGHT POLYMERIC SURFACTANTS WITH A DEFINED HYDROPHILIC-LIPOPHILIC BALANCE PCC MCAA SP Z O O (PL) 2025-10-22 EP disclosed
CN-114149643-B Cable and insulated wire 株式会社博迈立铖 2024-01-12 CN disclosed
CN-114149643-A Cable and insulated wire 日立金属株式会社 2022-03-08 CN disclosed
EP-3710509-A1 THE METHOD FOR THE PREPARATION OF LOW AND/OR MEDIUM MOLECULAR WEIGHT POLYMERIC SURFACTANTS WITH A DEFINED HYDROPHILIC-LIPOPHILIC BALANCE PCC MCAA Sp. z o.o. (PL) 2020-09-23 EP disclosed
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
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
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
US-5072034-A PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-3956220-A VINYL CHLORIDE POLYMER EMERY INDUSTRIES, INC. (US) 1976-05-11 US disclosed