SCHEMBL7569352

SCHEMBL7569352

O=C(O)c1ccc(C2c3ccccc3C(c3ccccc3)C2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.79
EDNRB P24530 3/20 0.61
TSHR P16473 2/20 0.45
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
SRD5A2 P31213 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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 0.89 EDNRA (1.00) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL6818186 0.89 EDNRA (1.00) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL7385427 0.89 EDNRA (1.00) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL7562551 0.89 EDNRA (1.00) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL7562502 0.84 EDNRA (0.81) EDNRAEDNRBCES2MEN1KMT2A
SCHEMBL7569725 0.78 EDNRA (0.71) EDNRAEDNRBMEN1KMT2ATP53
SCHEMBL7532959 0.78 EDNRA (1.00) EDNRAEDNRBTSHRCES2CES1
SCHEMBL14433696 0.78 EDNRA (0.78) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL13589970 0.78 EDNRA (0.78) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL7586067 0.76 EDNRA (1.00) EDNRAEDNRBTSHRCES2CES1

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 12 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
CN-1145223-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1997-03-19 CN 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 2/4885TSHR 189/4885

“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.