SCHEMBL705771

SCHEMBL705771

COC(=O)c1ccc(C)cc1Oc1ccc(CNCCCc2cccc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
LPAR1 Q92633 1/20 0.44
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
BCHE P06276 1/20 0.40
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL708754 0.93 LPAR1 (0.51) KDM4EMAPK1LPAR1OPRM1OPRD1
SCHEMBL706886 0.83 LPAR1 (0.57) KDM4ELPAR1HTTALDH1A1
SCHEMBL707465 0.75 LPAR1 (0.63) KDM4ELPAR1HTTALDH1A1
SCHEMBL10712914 0.72 HDAC1 (0.51) OPRK1MEN1KMT2AATMNPC1
SCHEMBL969512 0.72 CA12 (0.50) MEN1KMT2ANPC1MAPTHTT
SCHEMBL708836 0.71 ALDH1A1 (0.47) KDM4EKMT2AMAPTHTTHSP90AA1
SCHEMBL709267 0.71 LPAR1 (0.61) LPAR1
SCHEMBL709266 0.71 LPAR1 (0.61) LPAR1
SCHEMBL11094898 0.71 MTNR1A (0.56) KDM4EKMT2AHTTALDH1A1BCHE
SCHEMBL708064 0.69 LPAR1 (0.66) LPAR1

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 KDM4E 4132/4885MAPK1 523/4885LPAR1 1/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KDM4E 4132/4885MAPK1 523/4885LPAR1 1/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KDM4E 4132/4885MAPK1 523/4885LPAR1 1/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 KDM4E 4132/4885MAPK1 523/4885LPAR1 1/4885

“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.