SCHEMBL827992

SCHEMBL827992

CC(C)CCCCCCCCCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCCCCCCCCCC(C)C)c(C(=O)OCCCCCCCCCCCCCCCC(C)C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL829436 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL829165 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828785 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL4823377 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828641 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL14989201 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828840 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL14989321 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL828793 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53
SCHEMBL829297 1.00 RARB (0.44) RARBALDH1A1TSHRLMNATP53

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 33 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
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
US-20110112322-A1 Hydrogenation of Benzene Polycarboxylic Acids or Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-12 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
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
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