SCHEMBL1284545

SCHEMBL1284545

COc1cc(C(=O)N(CC=Cc2ccccc2)Cc2ccc(OCC(=O)O)cc2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.58
LPAR2 Q9HBW0 2/20 0.58
ACKR3 P25106 2/20 0.53
TNFRSF1A P19438 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
CTSD P07339 1/20 0.42
LPAR5 Q9H1C0 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
SCHEMBL708317 0.82 LPAR1 (0.77) LPAR1LPAR2SMN1; SMN2L3MBTL1LPAR5
SCHEMBL709568 0.82 LPAR1 (0.85) LPAR1LPAR2LPAR5
SCHEMBL709247 0.81 LPAR1 (0.85) LPAR1LPAR2LPAR5
SCHEMBL705502 0.81 LPAR1 (0.67) LPAR1LPAR2ACKR3BCHEACHE
SCHEMBL708537 0.79 LPAR1 (0.61) LPAR1LPAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL708900 0.79 LPAR1 (0.62) LPAR1LPAR2ALDH1A1L3MBTL1LPAR5
SCHEMBL1285240 0.78 LPAR1 (0.52) LPAR1LPAR2ACKR3BCHEACHE
SCHEMBL708247 0.75 LPAR1 (0.90) LPAR1LPAR2LPAR5
SCHEMBL707330 0.74 LPAR1 (1.00) LPAR1LPAR2LPAR5
SCHEMBL709573 0.74 LPAR1 (0.58) LPAR1LPAR2BCHEALDH1A1SMN1; SMN2

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 6 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-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 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 (2 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-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885ACKR3 119/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR2 2/4885ACKR3 119/4885

“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.