SCHEMBL6314927

SCHEMBL6314927

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

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.79
EDNRA P25101 10/20 0.52
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8580902 0.92 EDNRB (0.75) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL6315635 0.88 EDNRB (1.00) EDNRBEDNRAALDH1A1
SCHEMBL8798255 0.86 EDNRB (0.79) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL6314851 0.85 EDNRB (0.75) EDNRBEDNRA
SCHEMBL8577255 0.81 KDM4E (0.57) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL795880 0.78 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8576085 0.77 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8798379 0.76 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8575587 0.76 MEN1 (0.51) EDNRBEDNRAALDH1A1HPGDMAPK1
SCHEMBL6314775 0.76 EDNRB (1.00) EDNRBEDNRA

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 6 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
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

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 1/4885ALDH1A1 3248/4885

“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.