SCHEMBL709389

SCHEMBL709389

CCCCn1c(C(=O)c2cc(OC)cc(OC)c2)nc2ccc(Oc3ccccc3C(=O)O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 9/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL707714 0.90 LPAR1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL708944 0.75 LPAR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL707130 0.74 PPARG (0.54) POLBLMNAPPARGLPAR1KDM4E
SCHEMBL708379 0.73 POLB (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL707552 0.71 POLB (0.50) POLBLMNANPSR1ALDH1A1RECQL
SCHEMBL4696808 0.70 POLB (0.57) POLBLMNANPSR1PPARGALDH1A1
SCHEMBL6047758 0.70 POLB (0.57) POLBLMNAPPARGALDH1A1RECQL
SCHEMBL6047767 0.70 POLB (0.57) POLBLMNANPSR1ALDH1A1RECQL
SCHEMBL13851461 0.70 HTT (0.67) POLBLPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL6047817 0.70 POLB (0.52) POLBLMNANPSR1ALDH1A1RECQL

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 PSEN1 995/4885PSEN2 1161/4885APH1B 684/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 PSEN1 995/4885PSEN2 1161/4885APH1B 684/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 PSEN1 995/4885PSEN2 1161/4885APH1B 684/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 PSEN1 995/4885PSEN2 1161/4885APH1B 684/4885

“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.