SCHEMBL5943427

SCHEMBL5943427

O=C(OCc1ccccc1)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MGLL Q99685 1/20 0.47
MMP12 P39900 3/20 0.47
MMP1 P03956 2/20 0.47
TSHR P16473 1/20 0.46
SERPINE1 P05121 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL20830733 0.86 PRKCA (0.53) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL24874063 0.86 TDP1 (0.51) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL21535373 0.83 TDP1 (0.51) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL20830728 0.82 ALDH1A1 (0.50) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL24874102 0.82 MRGPRX4 (0.51) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL4758455 0.82 TDP1 (0.73) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL6833259 0.81 TDP1 (0.67) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL20831000 0.81 KMT2A (0.69) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL15341181 0.80 TDP1 (0.74) TDP1SLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL5943406 0.80 CA12 (0.64) KMT2AALDH1A1MAPTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2021-06-10 US disclosed
US-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2020-02-13 US disclosed
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
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-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 US disclosed
EP-2813486-A1 Fatty acid acetylated salicylates and their uses Catabasis Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 US disclosed
WO-2010006085-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2010-01-14 WO 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-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 (12 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-20200046738-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20040127737-A1 Process for the preparation of carboxylic acid benzyl esters CA4, CA7, CA9 TDP1 4705/4885SLC6A2 4246/4885SLC6A3 3681/4885
US-20030233008-A1 Process for the preparation of carboxylic benzyl esters CPS1, BCAT2, BCAT1 TDP1 4251/4885SLC6A2 3667/4885SLC6A3 2820/4885
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20030055279-A1 Process for the preparation of benzyl carboxylates GABRG2, CA4, NBAS TDP1 4546/4885SLC6A2 4245/4885SLC6A3 3432/4885
US-20170246193-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20140221323-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 TDP1 3956/4885SLC6A2 1706/4885SLC6A3 1223/4885
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 TDP1 4524/4885SLC6A2 1955/4885SLC6A3 3181/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 TDP1 2113/4885SLC6A2 2666/4885SLC6A3 3043/4885
US-20020128523-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, ALKBH3 TDP1 3355/4885SLC6A2 3024/4885SLC6A3 2819/4885

“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.