SCHEMBL658224

SCHEMBL658224

Cc1cc(C)c2c(c1C)OC(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CCNE1 P24864 10/20 0.37
CDK2 P24941 10/20 0.37
CDK1 P06493 8/20 0.37
CCNB1 P14635 8/20 0.37
CDK7 P50613 7/20 0.37
CCNH P51946 7/20 0.37
MNAT1 P51948 7/20 0.37
MAOA P21397 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
SCHEMBL661723 0.69 CDK1 (0.30) CCNE1CDK2CDK1CCNB1CDK7
SCHEMBL10333957 0.69 BRD4 (0.33) MAOA
SCHEMBL28415133 0.67 CYP19A1 (0.46) ESR1ESR2
SCHEMBL656329 0.67 ESR1 (0.34) ESR1ESR2CCNE1CDK2
SCHEMBL30576350 0.65 SIRT2 (0.44) ESR1ESR2
SCHEMBL68914 0.65 SIRT2 (0.44) ESR1ESR2
SCHEMBL16981078 0.63 CDK1 (0.36) ESR1CCNE1CDK2CDK1CCNB1
SCHEMBL11742225 0.62 TOP2A (0.39) MAOA
SCHEMBL659098 0.61 KDM4E (0.31)
SCHEMBL16980234 0.60 TDP2 (0.42)

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-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 ESR1 701/4885ESR2 971/4885CCNE1 1405/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 ESR1 701/4885ESR2 971/4885CCNE1 1405/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ESR1 701/4885ESR2 971/4885CCNE1 1405/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 ESR1 1315/4885ESR2 1180/4885CCNE1 1776/4885

“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.