SCHEMBL7569725

SCHEMBL7569725

CCc1ccc(C2c3ccccc3C(c3ccccc3)C2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.71
EDNRB P24530 3/20 0.60
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7562543 0.84 EDNRA (1.00) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL6818186 0.84 EDNRA (1.00) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL7385427 0.84 EDNRA (1.00) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL7562551 0.84 EDNRA (1.00) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL7562502 0.80 EDNRA (0.81) EDNRAEDNRBHTTMEN1KMT2A
SCHEMBL7569352 0.78 EDNRA (0.79) EDNRAEDNRBALDH1A1TP53MEN1
SCHEMBL7532959 0.77 EDNRA (1.00) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL7589806 0.75 EDNRA (1.00) EDNRAEDNRBALDH1A1TP53MEN1
SCHEMBL7586063 0.75 EDNRA (1.00) EDNRAEDNRBALDH1A1TP53MEN1
SCHEMBL7586067 0.75 EDNRA (1.00) EDNRAEDNRBALDH1A1TP53MEN1

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 11 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
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP disclosed
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 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
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5716984-A INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO 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 2/4885HTT 3615/4885

“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.