SCHEMBL660943

SCHEMBL660943

Cc1c(C)c2c(c(C)c1Br)CC(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8713292 0.79
SCHEMBL656157 0.77 NR1I2 (0.33)
SCHEMBL659070 0.77
SCHEMBL659615 0.77 EZH2 (0.31) EZH2
SCHEMBL23838773 0.76 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL15053240 0.76 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL6982911 0.76 CYP3A4 (0.50)
SCHEMBL658195 0.76 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL1723835 0.76 EZH2 (0.37) EZH2
SCHEMBL660013 0.74 DRD2 (0.31)

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
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 EZH2 2727/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 EZH2 2727/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 EZH2 2727/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 EZH2 1604/4885ALDH1A1 1010/4885SMN1; SMN2 2862/4885

“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.