SCHEMBL465063

SCHEMBL465063

CCCc1cccc(OCOC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
FFAR1 O14842 1/20 0.45
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
AOC3 Q16853 1/20 0.42
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL1445872 0.90 PPARA (0.55) TAAR1PPARAPPARGCHRM2CHRM1
SCHEMBL27655773 0.86 TAAR1 (0.47) TAAR1FFAR1CHRM2CHRM1CHRM3
SCHEMBL14117318 0.85 KDM4E (0.56) TAAR1FFAR1KDM4EALDH1A1MAOB
SCHEMBL3966708 0.84 KDM4E (0.52) TAAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL30177533 0.84 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL427612 0.83 CHRM2 (0.58) TAAR1PPARAPPARGCHRM2CHRM1
SCHEMBL21116575 0.81 IDO1 (0.50) FFAR1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL30500298 0.81 TAAR1 (0.44) TAAR1PPARAPPARGFFAR1CHRM2
SCHEMBL7775276 0.81 CYP4F2 (0.51) TAAR1PPARAPPARGFFAR1CHRM2
SCHEMBL156300 0.81 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-1826197-B1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-18 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP disclosed
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol WYETH (US) 2005-07-21 US disclosed
US-6884814-B2 Phenyl benzisoxazoles as estrogenic agents WYETH (US) 2005-04-26 US disclosed
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents WYETH 2003-11-06 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 (5 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 TAAR1 306/4885PPARA 1476/4885PPARG 1967/4885
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents ESR1, ESR2, GPER1 TAAR1 2445/4885PPARA 94/4885PPARG 31/4885
US-20050159465-A1 3-(4-Hydroxy-2-methylphenyl)-1,2-benzisoxazol-6-ol; estrogen receptor modulators; ability to compete with 17 beta -estradiol for both Estrogen Receptor alpha and Estrogen Receptor beta; Estrogen Receptor Selective Agonist Antagonist activity; anticancer, antiinflammatory, anticholesterol ESR2, ESR1, GPER1 TAAR1 1562/4885PPARA 233/4885PPARG 209/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 TAAR1 306/4885PPARA 1476/4885PPARG 1967/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 TAAR1 306/4885PPARA 1476/4885PPARG 1967/4885

“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.