SCHEMBL13038489

SCHEMBL13038489

CCCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1OCCC)[C@@H](C(=O)O)[C@@H]2c1ccc2c(c1)OCO2

nearest known ligand 0.93

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.93
EDNRB P24530 19/20 0.93

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
SCHEMBL8203979 1.00 EDNRA (0.93) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1031130 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8206689 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.97 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL7636324 0.97 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7538123 0.97 EDNRA (0.88) EDNRAEDNRB
SCHEMBL7810955 0.96 EDNRA (0.86) EDNRAEDNRB
SCHEMBL7538909 0.96 EDNRA (0.92) EDNRAEDNRB
SCHEMBL7532680 0.96 EDNRA (0.86) EDNRAEDNRB

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-20100286063-A1 GNRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-11-11 US disclosed
US-20070179097-A1 GnRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-08-02 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 (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-20100286063-A1 GNRH agonist combination drugs GNRHR, FSHR, EDNRA EDNRA 3/4885EDNRB 6/4885
US-20070179097-A1 GnRH agonist combination drugs GNRHR, FSHR, EDNRA EDNRA 3/4885EDNRB 6/4885

“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.