SCHEMBL2701640

SCHEMBL2701640

COc1cc(C=O)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.71
ESRRA P11474 5/20 0.67
TTR P02766 1/20 0.52

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
SCHEMBL14662670 0.92 AR (0.61) ARESRRA
SCHEMBL28889415 0.86 ESRRA (0.63) ARESRRATTR
SCHEMBL29965683 0.86 ESRRA (0.63) ARESRRATTR
SCHEMBL14663623 0.86 AR (0.71) ARESRRA
SCHEMBL875640 0.83 AR (0.57) ARESRRA
SCHEMBL4177296 0.83 AR (1.00) ARESRRA
SCHEMBL5514627 0.82 ESRRA (0.66) ARESRRA
SCHEMBL875311 0.82 PLA2G7 (0.58) ARESRRA
SCHEMBL16319470 0.82 TTR (0.56) ARESRRATTR
SCHEMBL4262996 0.82 TTR (0.56) ARESRRATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
EP-2450352-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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 (2 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-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 AR 13/4885ESRRA 2/4885TTR 3006/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 AR 13/4885ESRRA 2/4885TTR 3006/4885

“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.