SCHEMBL657816

SCHEMBL657816

Cc1cc(C)c(OC(C)C)c2c1CC(C)O2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.43
MAOB P27338 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.33
POLL Q9UGP5 1/20 0.33

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
SCHEMBL660204 0.82 MAOA (0.46) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL658356 0.78 MAOA (0.43) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL659652 0.74 MAOA (0.31) MAOA
SCHEMBL657712 0.71 MAOA (0.45) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL7817693 0.66 MAOA (0.50) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL10831325 0.61 PARP1 (0.51) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL12517837 0.61 FFAR4 (0.41) ALDH1A1
SCHEMBL13376481 0.61 KDM4E (0.31) MAOAKDM4EALDH1A1HSD17B10TSHR
SCHEMBL30487600 0.60 MAOA (1.00) MAOAMAOB
SCHEMBL8458877 0.60 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HSD17B10

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 11 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
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-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAOA 1322/4885MAOB 585/4885KDM4E 1953/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAOA 1322/4885MAOB 585/4885KDM4E 1953/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAOA 1322/4885MAOB 585/4885KDM4E 1953/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAOA 1794/4885MAOB 983/4885KDM4E 1734/4885

“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.