SCHEMBL7069090

SCHEMBL7069090

COc1ccc(Cn2c(C(=O)O)c(Sc3cccc(OC)c3)c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.91
EDNRA P25101 16/20 0.91
TP53 P04637 3/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
PPARG P37231 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7068551 0.87 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7070150 0.85 EDNRB (0.71) EDNRBEDNRATP53
SCHEMBL7067310 0.84 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6632096 0.84 EDNRA (1.00) EDNRBEDNRATP53MEN1CYP3A4
SCHEMBL7071789 0.81 EDNRB (1.00) EDNRBEDNRA
SCHEMBL21465533 0.80 MEN1 (0.82) EDNRBEDNRATP53MEN1CYP3A4
SCHEMBL7069233 0.80 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7071207 0.79 EDNRB (1.00) EDNRBEDNRA
SCHEMBL23759991 0.78 MEN1 (0.74) EDNRBEDNRATP53MEN1CYP3A4
SCHEMBL30742798 0.78 MEN1 (0.74) EDNRBEDNRATP53MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
EP-0790993-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-08-27 EP claimed
WO-1996015125-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-05-23 WO claimed
US-5482960-A Nonpeptide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1996-01-09 US claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed
EP-0790993-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-08-27 EP disclosed
WO-1996015125-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
US-5482960-A Nonpeptide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1996-01-09 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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885TP53 4759/4885

“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.