SCHEMBL7532873

SCHEMBL7532873

O=C(O)c1ccccc1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.69
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 1/20 0.67
CDC25B P30305 2/20 0.62
CDC25A P30304 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GAA P10253 1/20 0.59
CTNNB1 P35222 3/20 0.59
WNT3A P56704 3/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PTGS2 P35354 1/20 0.55
AKR1C3 P42330 1/20 0.55
ATM Q13315 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
SCHEMBL13548377 0.89 SRD5A2 (0.71) SRD5A2ALDH1A1MAPK1CDC25BCDC25A
SCHEMBL7816239 0.85 SRD5A2 (0.81) SRD5A2ALDH1A1MAPK1HSD17B10CTNNB1
SCHEMBL8301109 0.83 RAB9A (0.61) SRD5A2ALDH1A1CTNNB1WNT3ANPC1
SCHEMBL4824941 0.82 SRD5A2 (0.82) SRD5A2ALDH1A1MAPK1HSD17B10CTNNB1
SCHEMBL7367755 0.82 SRD5A2 (0.57) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL7367939 0.82 SRD5A2 (0.57) SRD5A2ALDH1A1MAPK1CTNNB1WNT3A
Piperonylic Acid SCHEMBL31119409 0.81 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1HSD17B10CTNNB1
Piperonylic Acid SCHEMBL3946119 0.81 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1HSD17B10CTNNB1
Piperonylic Acid SCHEMBL142318 0.81 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1HSD17B10CTNNB1
SCHEMBL3522633 0.81 MAPT (0.60) SRD5A2ALDH1A1MAPK1GAACTNNB1

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 13 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
EP-0612244-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-05-17 EP disclosed
EP-0612244-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-08-31 EP 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 SRD5A2 1679/4885ALDH1A1 3475/4885MAPK1 2372/4885

“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.