SCHEMBL709317

SCHEMBL709317

COc1cc(OC)cc(C(=O)c2cc3cc(OCC(=O)O)ccc3n2CCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLA2G4A P47712 7/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
PPARG P37231 1/20 0.46
LMNA P02545 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PTPN7 P35236 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 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
SCHEMBL705825 0.91 SRD5A2 (0.57) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL709318 0.90 PLA2G4A (0.45) KDM4EMEN1KMT2APLA2G4APOLB
SCHEMBL708379 0.82 POLB (0.51) MCL1KDM4EPOLBALDH1A1PPARG
SCHEMBL706447 0.81 LPAR1 (0.52) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL706891 0.79 KMT2A (0.42) MCL1KDM4EMEN1KMT2APOLB
SCHEMBL708944 0.76 LPAR1 (0.52) MCL1KDM4EMEN1KMT2APOLB
SCHEMBL707824 0.75 LPAR1 (0.52) PPARG
SCHEMBL13802519 0.74 SRD5A2 (0.72) MCL1MEN1KMT2APLA2G4ASRD5A2
SCHEMBL707717 0.73 SLC6A2 (0.47) KDM4EKMT2APPARG
SCHEMBL6867612 0.72 CCR2 (0.61) KDM4EKMT2APOLBALDH1A1MAPT

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 MCL1 253/4885KDM4E 4132/4885MEN1 1200/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 MCL1 253/4885KDM4E 4132/4885MEN1 1200/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 MCL1 253/4885KDM4E 4132/4885MEN1 1200/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 MCL1 253/4885KDM4E 4132/4885MEN1 1200/4885

“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.