SCHEMBL972713

SCHEMBL972713

COc1cc(C(=O)CCCCc2ccccc2)cc(OC)c1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.58
LPAR2 Q9HBW0 2/20 0.58
DPP4 P27487 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL969334 0.89 TDP1 (0.59) LPAR1DPP4NPC1RAB9ACASP3
SCHEMBL6819817 0.86 KMT2A (0.62) DPP4NPC1RAB9APDE4APDE4B
SCHEMBL709246 0.84 TDP1 (0.60) LPAR1NPC1RAB9ACASP3SENP8
SCHEMBL19438725 0.84 LPAR1 (0.68) LPAR1LPAR2
SCHEMBL19438680 0.82 LPAR1 (0.63) LPAR1LPAR2
SCHEMBL19438628 0.81 LPAR1 (0.71) LPAR1LPAR2
SCHEMBL19438537 0.80 LPAR1 (0.67) LPAR1LPAR2
SCHEMBL19438791 0.80 LPAR1 (0.67) LPAR1LPAR2
SCHEMBL19438682 0.80 LPAR1 (0.70) LPAR1LPAR2
SCHEMBL19438812 0.80 LPAR1 (0.72) LPAR1LPAR2

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 1/4885DPP4 1804/4885

“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.