SCHEMBL6950719

SCHEMBL6950719

CCCOc1cccc(C(=O)/C(=C\c2ccc3c(c2)OCO3)C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 5/20 0.44
PKM P14618 1/20 0.44
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CFTR P13569 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6950723 1.00 RAB9A (0.52) RAB9ANPC1CRHBPCRHR2CTNNB1
SCHEMBL7383029 0.90 RAB9A (0.51) RAB9ANPC1CRHBPCRHR2CTNNB1
SCHEMBL7383032 0.90 RAB9A (0.51) RAB9ANPC1CRHBPCRHR2CTNNB1
SCHEMBL7533884 0.90 RAB9A (0.51) RAB9ANPC1CRHBPCRHR2CTNNB1
SCHEMBL7531890 0.87 MAOB (0.50) CTNNB1WNT3AKMT2AMAPTMEN1
SCHEMBL8207340 0.84 EDNRA (0.45) RAB9ANPC1EDNRBEDNRA
SCHEMBL8207341 0.83 CFTR (0.39) RAB9ANPC1EDNRBEDNRACFTR
SCHEMBL7593847 0.77 KDM4E (0.61) RAB9ANPC1CRHBPCRHR2KMT2A
SCHEMBL8575516 0.74 KDM4E (0.57) RAB9ANPC1CRHBPCRHR2KMT2A
SCHEMBL31483447 0.72 TLR4 (0.54) TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699069-B9 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-10-22 EP disclosed
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
EP-0699069-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-13 EP disclosed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US 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

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 RAB9A 4092/4885NPC1 3053/4885CRHBP 636/4885

“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.