SCHEMBL970897

SCHEMBL970897

COc1cc(C(O)[C@H](CCCc2ccccc2)Cc2cccc(OCC(=O)O)c2)cc(OC)c1C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.71
LPAR2 Q9HBW0 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL970895 1.00 LPAR1 (0.71) LPAR1LPAR2PTGDR2PPARGPPARA
SCHEMBL969576 0.91 LPAR1 (0.79) LPAR1LPAR2
SCHEMBL969577 0.91 LPAR1 (0.79) LPAR1LPAR2
SCHEMBL2516761 0.91 LPAR1 (0.79) LPAR1LPAR2
SCHEMBL968665 0.86 LPAR1 (0.86) LPAR1LPAR2
SCHEMBL968667 0.86 LPAR1 (0.86) LPAR1LPAR2
SCHEMBL970293 0.85 LPAR1 (0.78) LPAR1
SCHEMBL970295 0.85 LPAR1 (0.78) LPAR1
SCHEMBL969597 0.84 LPAR1 (0.73) LPAR1
SCHEMBL969595 0.84 LPAR1 (0.73) LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP 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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 LPAR1 2/4885LPAR2 1/4885PTGDR2 47/4885

“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.