SCHEMBL706447

SCHEMBL706447

COc1cc(OC)cc(C(=O)c2cc3cc(-c4ccccc4C(=O)O)ccc3n2CCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.52
PPARG P37231 9/20 0.45
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
BRS3 P32247 1/20 0.41
POLB P06746 2/20 0.41
CCR2 P41597 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL707824 0.93 LPAR1 (0.52) LPAR1PPARGAGTR1AGTR2BRS3
SCHEMBL707717 0.86 SLC6A2 (0.47) LPAR1PPARGKMT2AKDM4E
SCHEMBL707130 0.83 PPARG (0.54) LPAR1PPARGPOLBKDM4E
SCHEMBL705825 0.82 SRD5A2 (0.57) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL709317 0.81 MCL1 (0.47) PPARGPOLBMEN1KMT2AKDM4E
SCHEMBL708944 0.79 LPAR1 (0.52) LPAR1PPARGPOLBCCR2MEN1
SCHEMBL706891 0.77 KMT2A (0.42) POLBCCR2MEN1KMT2AKDM4E
SCHEMBL709318 0.77 PLA2G4A (0.45) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL708380 0.75 LPAR1 (0.51) LPAR1PPARGAGTR1AGTR2POLB
SCHEMBL708371 0.71 POLB (0.54) POLBMEN1KMT2AKDM4EALDH1A1

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 1/4885PPARG 163/4885AGTR1 12/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885AGTR1 12/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885AGTR1 12/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885PPARG 163/4885AGTR1 12/4885

“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.