SCHEMBL7586063

SCHEMBL7586063

COc1ccc([C@H]2c3ccccc3[C@H](c3ccc(OC)cc3)C2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 1.00
EDNRB P24530 10/20 1.00
ALDH1A1 P00352 1/20 0.49
FABP7 O15540 1/20 0.48
FABP5 Q01469 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL7586067 1.00 EDNRA (1.00) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7586070 1.00 EDNRA (1.00) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7589806 1.00 EDNRA (1.00) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL8676241 1.00 EDNRA (1.00) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7532959 0.98 EDNRA (1.00) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7538261 0.94 EDNRA (0.88) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7561073 0.93 EDNRA (0.86) EDNRAEDNRBALDH1A1FABP7FABP5
SCHEMBL7561325 0.89 EDNRA (0.79) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL7594779 0.88 EDNRA (0.77) EDNRAEDNRBALDH1A1SMN1; SMN2MEN1
SCHEMBL8204712 0.88 EDNRA (0.77) EDNRAEDNRBFFAR1MEN1POLB

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-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-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 2/4885ALDH1A1 3475/4885

“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.