SCHEMBL709280

SCHEMBL709280

COc1cc(OC)cc(C(=O)N(CCCc2ccccc2C)Cc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.70
LPAR2 Q9HBW0 2/20 0.66
LPAR3 Q9UBY5 1/20 0.58
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48

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
SCHEMBL706762 0.90 LPAR1 (0.70) LPAR1LPAR2LPAR3LPAR5
SCHEMBL706851 0.90 LPAR1 (0.78) LPAR1LPAR2LPAR3HDAC1HDAC6
SCHEMBL706956 0.89 LPAR1 (0.83) LPAR1LPAR2
SCHEMBL707844 0.89 LPAR1 (0.72) LPAR1LPAR2LPAR3HDAC1HDAC6
SCHEMBL709710 0.89 LPAR1 (0.79) LPAR1LPAR2LPAR3LPAR5
SCHEMBL708187 0.88 LPAR1 (0.72) LPAR1LPAR2LPAR5
SCHEMBL705292 0.86 LPAR1 (0.69) LPAR1LPAR2LPAR3LPAR5
SCHEMBL709579 0.86 LPAR1 (0.70) LPAR1LPAR2LPAR3LPAR5
SCHEMBL708786 0.85 LPAR1 (0.67) LPAR1LPAR2LPAR3LPAR5
SCHEMBL708192 0.85 LPAR1 (0.68) LPAR1LPAR2LPAR3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 4/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 4/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 4/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885LPAR3 4/4885

“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.