SCHEMBL708944

SCHEMBL708944

COc1cc(OC)cc(C(=O)c2cc3ccc(Oc4ccccc4C(=O)O)cc3n2CCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.52
LPAR3 Q9UBY5 1/20 0.52
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCR9 P51686 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.41
MCL1 Q07820 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
BCL2 P10415 1/20 0.39
PPARG P37231 2/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL707714 0.85 LPAR1 (0.51) LPAR1LPAR3PSEN1PSEN2APH1B
SCHEMBL707824 0.84 LPAR1 (0.52) LPAR1PPARG
SCHEMBL706891 0.82 KMT2A (0.42) POLBKDM4ECCR9MEN1KMT2A
SCHEMBL707717 0.80 SLC6A2 (0.47) LPAR1KDM4EKMT2AMTNR1AMTNR1B
SCHEMBL706447 0.79 LPAR1 (0.52) LPAR1POLBKDM4EMEN1KMT2A
SCHEMBL705825 0.77 SRD5A2 (0.57) POLBKDM4EMEN1KMT2A
SCHEMBL709317 0.76 MCL1 (0.47) POLBKDM4EMEN1KMT2AMCL1
SCHEMBL709389 0.75 PSEN1 (0.55) LPAR1LPAR3PSEN1PSEN2APH1B
SCHEMBL709318 0.73 PLA2G4A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13851461 0.71 HTT (0.67) LPAR1LPAR3POLBKDM4EMEN1

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 4/4885PSEN1 995/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885PSEN1 995/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885PSEN1 995/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885PSEN1 995/4885

“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.