SCHEMBL706855

SCHEMBL706855

COc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2ccc(-c3ccccc3CCC(=O)O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 1.00
LPAR3 Q9UBY5 1/20 0.60
LPAR2 Q9HBW0 2/20 0.55
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
LPAR5 Q9H1C0 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL705669 0.91 LPAR1 (1.00) LPAR1LPAR3LPAR2LPAR5
SCHEMBL705968 0.89 LPAR1 (0.80) LPAR1LPAR3LPAR2LPAR5HDAC1
SCHEMBL708927 0.89 LPAR1 (0.80) LPAR1LPAR2LPAR5
SCHEMBL706425 0.89 LPAR1 (0.85) LPAR1LPAR2LPAR5
SCHEMBL708182 0.87 LPAR1 (0.76) LPAR1LPAR3LPAR2LPAR5HDAC1
SCHEMBL704703 0.85 LPAR1 (1.00) LPAR1LPAR3
SCHEMBL704684 0.83 LPAR1 (0.85) LPAR1LPAR3LPAR2FFAR1FFAR4
SCHEMBL709176 0.83 LPAR1 (0.81) LPAR1LPAR3LPAR2LPAR5
SCHEMBL706851 0.83 LPAR1 (0.78) LPAR1LPAR3LPAR2LPAR5HDAC1
SCHEMBL708102 0.83 LPAR1 (0.94) LPAR1LPAR3

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 1/4885LPAR3 4/4885LPAR2 2/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885

“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.