SCHEMBL660040

SCHEMBL660040

Cc1cc(C)c(Br)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 3/20 0.39
PPARA Q07869 14/20 0.38
CYP1A2 P05177 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PPARG P37231 10/20 0.37
PPARD Q03181 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL657944 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL15262962 0.77 PPARA (0.49) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL14988854 0.77 PPARA (0.55) CYP2C9PPARACYP1A2MEN1CYP3A4
SCHEMBL2474247 0.77 KDM4E (0.41) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL3599895 0.76 CYP2C9 (0.59) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL14934285 0.76 PPARA (0.53) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL659617 0.71 PPARA (0.53) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL16348228 0.70 ACHE (0.55) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL4133841 0.70 PPARA (0.49) KDM4EALDH1A1HSD17B10CYP2C9PPARA
SCHEMBL13180019 0.70 CYP2C9 (0.45) KDM4EALDH1A1HSD17B10CYP2C9PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
CN-103965147-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-08-06 CN disclosed
CN-102421767-B Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-06-18 CN disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
CN-102421767-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2012-04-18 CN disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KDM4E 1734/4885ALDH1A1 1010/4885HSD17B10 308/4885

“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.