SCHEMBL6320723

SCHEMBL6320723

COc1ccccc1Cn1c(=O)c(C(=O)O)c(-c2ccc3c(c2)OCCO3)c2oc3ccccc3c21

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.92

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
SCHEMBL8804891 0.91 EDNRB (0.76) EDNRB
SCHEMBL8804066 0.86 EDNRB (0.79) EDNRB
SCHEMBL6314933 0.85 EDNRB (1.00) EDNRB
SCHEMBL6322007 0.84 EDNRB (0.67) EDNRB
SCHEMBL6315635 0.80 EDNRB (1.00) EDNRB
SCHEMBL8804966 0.78 EDNRB (0.58) EDNRB
SCHEMBL8803781 0.78 EDNRB (1.00) EDNRB
SCHEMBL6315724 0.77 EDNRB (0.76) EDNRB
SCHEMBL8804652 0.75 EDNRB (1.00) EDNRB
SCHEMBL8805492 0.75 EDNRB (0.81) EDNRB

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 4 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
US-5700807-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 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 (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 2/4885

“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.