SCHEMBL6315563

SCHEMBL6315563

CCCOc1ccc2c(c1)c(-c1ccc3nsnc3c1)c(C(=O)O)n2Cc1ccc(OC)cc1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.92
EDNRA P25101 11/20 0.73
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
PLA2G2A P14555 1/20 0.41

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
SCHEMBL6314805 0.96 EDNRB (1.00) EDNRBEDNRAPLA2G2A
SCHEMBL6314803 0.93 EDNRB (0.80) EDNRBEDNRATP53
SCHEMBL8551598 0.90 EDNRB (0.86) EDNRBEDNRA
SCHEMBL8546989 0.89 EDNRB (0.87) EDNRBEDNRATP53
SCHEMBL8592784 0.89 EDNRB (0.87) EDNRBEDNRA
SCHEMBL6322213 0.89 EDNRB (0.87) EDNRBEDNRATP53
SCHEMBL8549095 0.89 EDNRB (0.84) EDNRBEDNRA
SCHEMBL8548885 0.88 EDNRB (0.82) EDNRBEDNRA
SCHEMBL8550228 0.87 EDNRB (0.85) EDNRBEDNRAPLA2G2A
SCHEMBL8550345 0.87 EDNRB (0.83) EDNRBEDNRATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 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 (1 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885PPARG 791/4885

“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.