SCHEMBL659767

SCHEMBL659767

COc1c(C)c(Br)c(C)c2c1OC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.39
POLL Q9UGP5 1/20 0.34
MAOA P21397 1/20 0.33
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL656553 0.83 KDM4E (0.33) ALDH1A1KDM4EHPGDMAOA
SCHEMBL659313 0.80 MAOA (0.34) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL659037 0.80 MAOA (0.34) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL657996 0.80 MAOA (0.34) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL1722570 0.80 MAOA (0.30) MAOA
SCHEMBL8630802 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL660204 0.71 MAOA (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL657303 0.71 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL659536 0.67 EZH2 (0.31)
SCHEMBL8458877 0.66 MAOA (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR

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