SCHEMBL6315635

SCHEMBL6315635

COc1ccccc1Cn1c(=O)c(C(=O)O)c(-c2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 1.00
EDNRA P25101 4/20 0.57
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL795880 0.89 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6314927 0.88 EDNRB (0.79) EDNRBEDNRAALDH1A1
SCHEMBL8798255 0.88 EDNRB (0.79) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL6314775 0.87 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8576085 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8580902 0.86 EDNRB (0.75) EDNRBEDNRAALDH1A1
SCHEMBL6315734 0.85 EDNRB (1.00) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL8578754 0.81 EDNRB (0.83) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL8578004 0.81 EDNRB (0.86) EDNRBEDNRA
SCHEMBL6320723 0.80 EDNRB (0.92) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585636-A Use of endothelin receptor antagonists in the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-02-23 CN claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US claimed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP claimed
JP-9040649-A None JP disclosed
CN-1585636-A Use of endothelin receptor antagonists in the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-02-23 CN disclosed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
JP-H0940649-A ENDOTHELIN RECEPTOR ANTAGONISTIC SUBSTANCE MERCK PATENT GMBH 1997-02-10 JP 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 1/4885KDM4E 3445/4885

“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.