SCHEMBL6832248

SCHEMBL6832248

Cc1ccc(C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
KDM4E B2RXH2 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
LMNA P02545 1/20 0.51
MAOB P27338 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL5695937 0.88 TDP1 (0.67) TDP1KMT2AALDH1A1CA12CA1
SCHEMBL14363401 0.87 TDP1 (0.60) TDP1KMT2AMEN1ALDH1A1SLC6A2
SCHEMBL28557117 0.86 KMT2A (0.59) TDP1KMT2AMEN1ALDH1A1SLC6A2
SCHEMBL4758455 0.86 TDP1 (0.73) TDP1KMT2AMEN1ALDH1A1CA12
SCHEMBL7511115 0.85 KMT2A (0.62) TDP1KMT2AMEN1ALDH1A1CA12
SCHEMBL10783794 0.85 ALDH1A1 (0.69) TDP1KMT2AALDH1A1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL30842846 0.85 KMT2A (0.58) TDP1KMT2AMEN1ALDH1A1SLC6A2
SCHEMBL10787402 0.85 ALDH1A1 (0.69) TDP1KMT2AALDH1A1SLC6A2SLC6A3
SCHEMBL15341181 0.84 TDP1 (0.74) TDP1KMT2AALDH1A1SLC6A2SLC6A3
SCHEMBL22519217 0.84 DHODH (0.56) TDP1KMT2AALDH1A1KDM4ESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458757-B1 PROCESS FOR THE PRODUCTION OF PERFUMING COMPOSITIONS, PERFUMED PRODUCTS AND SUBSTANCES FOR PERFUMERY CHARACTERIZED IN THAT THEY COMPRISE, AS AN ACTIVE INGREDIENT WITH AN INFLUENCE ON THE SCENT, AN EFFECTIVE QUANTITY OF AN ALKYLSALICYLIC ACID Chimie, Rhodia (FR) 2002-10-01 US claimed
EP-0876325-B1 METHOD FOR PREPARING SCENTING COMPOSITIONS AND SCENTED PRODUCTS, AND RESULTING PRODUCTS RHODIA CHIMIE SA (FR) 2002-01-09 EP claimed
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
WO-2016116603-A1 NOVEL PHENYLPHOSPHATES AND USE THEREOF AS MEDICAMENTS UNIVERSITÄT LEIPZIG (DE) 2016-07-28 WO disclosed
US-9272984-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9139516-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2015-04-09 US disclosed
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8735378-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8729293-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-20120238586-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-09-20 US disclosed
US-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-6600064-B2 Reacting dibenzyl ethers with alkylcarbonyloxybenzoic or alkoxycarbonyloxybenzoic acids in the presence of one or more acids as catalyst BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20030055279-A1 Process for the preparation of benzyl carboxylates BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-6458757-B1 PROCESS FOR THE PRODUCTION OF PERFUMING COMPOSITIONS, PERFUMED PRODUCTS AND SUBSTANCES FOR PERFUMERY CHARACTERIZED IN THAT THEY COMPRISE, AS AN ACTIVE INGREDIENT WITH AN INFLUENCE ON THE SCENT, AN EFFECTIVE QUANTITY OF AN ALKYLSALICYLIC ACID Chimie, Rhodia (FR) 2002-10-01 US disclosed
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US 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 (9 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-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters CA4, CA7, CA9 TDP1 4705/4885KMT2A 820/4885MEN1 2911/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885KMT2A 1295/4885MEN1 3278/4885
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885KMT2A 1744/4885MEN1 4861/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885KMT2A 1281/4885MEN1 3545/4885
US-20120238586-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885KMT2A 1744/4885MEN1 4861/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885KMT2A 1744/4885MEN1 4861/4885
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885KMT2A 1744/4885MEN1 4861/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885KMT2A 690/4885MEN1 3925/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885KMT2A 513/4885MEN1 3487/4885

“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.