SCHEMBL707552

SCHEMBL707552

COc1cc(OC)cc(C(=O)c2nc3ccc(CC(=O)O)cc3n2CCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL708379 0.86 POLB (0.51) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL707130 0.82 PPARG (0.54) POLBKDM4ELMNA
SCHEMBL708371 0.82 POLB (0.54) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL707714 0.81 LPAR1 (0.51) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL709389 0.71 PSEN1 (0.55) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL4696808 0.70 POLB (0.57) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL6047767 0.70 POLB (0.57) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL6047758 0.70 POLB (0.57) POLBKDM4ELMNAALDH1A1RECQL
SCHEMBL706891 0.69 KMT2A (0.42) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL709317 0.69 MCL1 (0.47) POLBKDM4ELMNAALDH1A1HPGD

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 POLB 1235/4885KDM4E 4132/4885LMNA 1108/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885LMNA 1108/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885LMNA 1108/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 POLB 1235/4885KDM4E 4132/4885LMNA 1108/4885

“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.