SCHEMBL7538909

SCHEMBL7538909

CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OCCCO)C(C(=O)O)C2c1ccc2c(c1)OCO2

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.92
EDNRB P24530 18/20 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
Enrasentan SCHEMBL7636324 0.96 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1649828 0.96 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL29356829 0.96 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL8206689 0.96 EDNRA (1.00) EDNRAEDNRB
Enrasentan SCHEMBL1031130 0.96 EDNRA (1.00) EDNRAEDNRB
SCHEMBL13038489 0.96 EDNRA (0.93) EDNRAEDNRB
SCHEMBL8203979 0.96 EDNRA (0.93) EDNRAEDNRB
Enrasentan SCHEMBL8008492 0.94 EDNRA (0.97) EDNRAEDNRB
Enrasentan SCHEMBL7610103 0.94 EDNRA (0.95) EDNRAEDNRB
Enrasentan SCHEMBL7660593 0.94 EDNRA (0.95) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448260-B2 3-(2-CARBOXYMETHOXY-4-METHOXYPHENYL)-1-(3,4-METHYLENEDIOXY -PHENYL)-5-(PROP-1-YLOXY)-INDANE-2-CARBOXYLIC ACID AS AN ESPECIALLY PREFERRED COMPOUND; HYPOTENSIVE AGENTS; CARDIOVASCULAR, UROGENITAL AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-09-10 US disclosed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 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-20020002177-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 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.