SCHEMBL2639728

SCHEMBL2639728

O=Cc1ccccc1C(=O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
TSHR P16473 3/20 0.63
CYP3A4 P08684 2/20 0.63
MAPK1 P28482 2/20 0.63
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
HIF1A Q16665 1/20 0.63
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
HCAR2 Q8TDS4 1/20 0.50
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL290777 0.85 TSHR (0.77) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL381019 0.84 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1RAB9ATSHR
SCHEMBL9096992 0.81 ALDH1A1 (0.71) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL20506827 0.80 TSHR (0.71) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL31205771 0.80 TSHR (0.71) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL15623966 0.80 TSHR (0.50) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL27095798 0.79 ALDH1A1 (0.60) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL112400 0.79 TDP1 (0.70) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL29626023 0.79 TDP1 (0.70) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL901184 0.79 TDP1 (0.70) ALDH1A1TDP1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791634-B2 2011-10-12 JP claimed
EP-1169292-B1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH & CIE (CH) 2004-11-24 EP claimed
US-6589921-B2 Such as 3,7-dimethyl-6-octenyl-2-formylbenzoate for after-shave lotion, cosmetics, soaps, shampoo/conditioners, other hair care products, bath/shower gels, foam baths, deodorants, air fresheners, detergents, or fabric softener FIRMENICH SA (CH) 2003-07-08 US claimed
US-20020169087-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH S.A 2002-11-14 US claimed
US-20020032132-A1 Cyclic compounds and their use as precursors of fragrant alcohols ANTARES CAPITAL CORPORATION, AS AGENT 2002-03-14 US claimed
EP-1169292-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS Firmenich S.A. (CH) 2002-01-09 EP claimed
WO-2000058260-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH S.A. (CH) 2000-10-05 WO claimed
US-11534427-B2 Applications of novel thiazole derivative in treating inflammatory bowel diseases EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-12-27 US disclosed
US-11534427-B2 Applications of novel thiazole derivative in treating inflammatory bowel diseases EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-12-27 US disclosed
EP-3459937-B1 THIAZOLE DERIVATIVE AND APPLICATIONS UNIV EAST CHINA SCIENCE & TECH (CN) 2021-12-29 EP disclosed
US-10919869-B2 Thiazole derivative and applications EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-02-16 US disclosed
US-20190292162-A1 THIAZOLE DERIVATIVE AND APPLICATIONS EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-09-26 US disclosed
US-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-09-26 US disclosed
US-20020032132-A1 Cyclic compounds and their use as precursors of fragrant alcohols ANTARES CAPITAL CORPORATION, AS AGENT 2002-03-14 US disclosed
EP-1169292-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS Firmenich S.A. (CH) 2002-01-09 EP disclosed
WO-2000058260-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH S.A. (CH) 2000-10-05 WO disclosed
EP-0526529-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES SMITH KLINE FRENCH LAB (GB) 1996-10-16 EP disclosed
US-5336781-A Process SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1994-08-09 US disclosed
EP-0526529-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES. SMITH KLINE FRENCH LAB (GB) 1993-02-10 EP disclosed
WO-1991016306-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLONE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-10-31 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 (4 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-11534427-B2 Applications of novel thiazole derivative in treating inflammatory bowel diseases FABP2, SLC10A2, ALPI ALDH1A1 63/4885TDP1 4479/4885L3MBTL1 4882/4885
US-20190292162-A1 THIAZOLE DERIVATIVE AND APPLICATIONS DHODH, DLD, THOC2 ALDH1A1 30/4885TDP1 1937/4885L3MBTL1 4730/4885
US-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES FABP2, SLC10A2, ALPI ALDH1A1 63/4885TDP1 4479/4885L3MBTL1 4882/4885
US-10919869-B2 Thiazole derivative and applications DHODH, DLD, THOC2 ALDH1A1 30/4885TDP1 1937/4885L3MBTL1 4730/4885

“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.