SCHEMBL656553

SCHEMBL656553

CCOc1c(C)c(Br)c(C)c2c1OC(C)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 2/20 0.31

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
SCHEMBL1722570 0.88 MAOA (0.30) MAOA
SCHEMBL659767 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAOA
SCHEMBL659652 0.79 MAOA (0.31) MAOA
SCHEMBL657996 0.77 MAOA (0.34) KDM4EALDH1A1HPGDMAOA
SCHEMBL659313 0.77 MAOA (0.34) KDM4EALDH1A1HPGDMAOA
SCHEMBL659037 0.77 MAOA (0.34) KDM4EALDH1A1HPGDMAOA
SCHEMBL657831 0.73 HTR6 (0.30)
SCHEMBL659087 0.70 DHFR (0.35) KDM4EALDH1A1HPGD
SCHEMBL659615 0.70 EZH2 (0.31)
SCHEMBL658971 0.69 NPC1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1953/4885ALDH1A1 618/4885HPGD 1781/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HPGD 1781/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HPGD 1781/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KDM4E 1734/4885ALDH1A1 1010/4885HPGD 2907/4885

“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.