SCHEMBL828858

SCHEMBL828858

CC(C)CCCCCCCCOC(=O)c1ccc(C(=O)O)cc1C(=O)OCCCCCCCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.53
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 4/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL828744 1.00 RARB (0.53) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL828602 1.00 RARB (0.53) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL828483 1.00 RARB (0.53) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL828072 1.00 RARB (0.53) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL828624 1.00 RARB (0.53) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29420390 0.96 RARB (0.52) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27472468 0.96 RARB (0.52) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL30121603 0.96 RARB (0.52) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL20357556 0.96 RARB (0.52) RARBGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL7149903 0.96 RARB (0.52) RARBGRIN2DGRIN2AGRIN2BGRIN2C

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
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 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
US-20110082311-A1 Hydrogenation Processes EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2011-04-07 US disclosed
US-7732634-B2 hydrogenating organic compounds by contacting with hydrogen-containing gas in presence of catalyst which comprises catalytically active metals applied to porous catalyst support; catalytically active metals having been derived via decomposed amine complex of metal on support EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-08 US disclosed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US disclosed
US-20090234152-A1 Hydrogenation of Benzene Polycarboxylic Acids or Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2009-09-17 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US disclosed
US-20060149097-A1 Hydrogenation processes EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2006-07-06 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060149097-A1 Hydrogenation processes HAO2, HVCN1, AOC3 RARB 4375/4885GRIN2D 1580/4885GRIN2A 975/4885
US-20110082311-A1 Hydrogenation Processes HAO2, HVCN1, AOC3 RARB 4375/4885GRIN2D 1580/4885GRIN2A 975/4885
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 RARB 600/4885GRIN2D 1515/4885GRIN2A 1173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.