SCHEMBL476749

SCHEMBL476749

OC(Cc1ccccc1)C(O)C(O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
EPHX1 P07099 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MDM2 Q00987 1/20 0.45
TSHR P16473 1/20 0.43
LAP3 P28838 3/20 0.43

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
SCHEMBL6823347 0.95 TRPA1 (0.54) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL7279245 0.95 TRPA1 (0.54) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL4888635 0.92 TRPA1 (0.52) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL3418072 0.91 TRPA1 (0.50) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL108646 0.89 TRPA1 (0.58) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL537721 0.86 TRPA1 (0.50) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL105769 0.86 TRPA1 (0.57) TRPA1EPHX1CYP1A2SLC6A2TAAR1
SCHEMBL29189650 0.86 TRPA1 (0.50) TRPA1EPHX1CYP1A2ALPIPKM
SCHEMBL20008956 0.86 TRPA1 (0.57) TRPA1EPHX1CYP1A2SLC6A2TAAR1
SCHEMBL30304201 0.84 TDP1 (0.50) TRPA1EPHX1CYP1A2ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6072990-A None JP disclosed
JP-6080608-A None JP disclosed
JP-6100486-A None JP disclosed
JP-5320105-A None JP disclosed
US-10961483-B2 Method for preparing 2-monoacylglycerides STEPAN COMPANY (US) 2021-03-30 US disclosed
EP-3317385-B1 METHOD FOR PREPARING 2-MONOACYLGLYCERIDES STEPAN CO (US) 2019-04-03 EP disclosed
US-20180187125-A1 METHOD FOR PREPARING 2-MONOACYLGLYCERIDES STEPAN COMPANY 2018-07-05 US disclosed
EP-2389348-B1 PROCESS FOR THE SYNTHESIS OF BETA GLYCEROL PHOSPHATE SIGMA ALDRICH CO LLC (US) 2017-11-15 EP disclosed
US-8420848-B2 Process for the synthesis of beta glycerol phosphate SIGMA-ALDRICH CO. LLC (US) 2013-04-16 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
WO-1991016315-A1 5-BENZYL BARBITURATE DERIVATIVES BROWN UNIVERSITY RESEARCH FOUNDATION (US) 1991-10-31 WO disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0152965-B1 PROCESS FOR PREPARING 2,6-SUBSTITUTED-9-(1,3-DIHYDROXY-2-PROPOXY-MENTHYL)-PURINES AND CERTAIN DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1990-10-24 EP disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
US-4621140-A Process for preparing 2,6-substituted-9-(1,3-dihydroxy-2-propoxymethyl)-purines and certain derivatives SYNTEX (U.S.A.) INC. (US) 1986-11-04 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed
EP-0152965-A2 Process for preparing 2,6-substituted-9-(1,3-dihydroxy-2-propoxy-menthyl)-purines and certain derivatives SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP 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 (1 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-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 TRPA1 2586/4885EPHX1 588/4885CYP1A2 129/4885

“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.