SCHEMBL706891

SCHEMBL706891

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
CCR9 P51686 2/20 0.41
MAPK8 P45983 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.39
TSHR P16473 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
SCHEMBL707824 0.83 LPAR1 (0.52)
SCHEMBL708944 0.82 LPAR1 (0.52) KMT2AMEN1POLBCCR9HDAC1
SCHEMBL707717 0.81 SLC6A2 (0.47) KMT2AGAATSHRMTNR1AMTNR1B
SCHEMBL705825 0.80 SRD5A2 (0.57) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL709317 0.79 MCL1 (0.47) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL706447 0.77 LPAR1 (0.52) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL708960 0.76 HDAC3 (0.53) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL709318 0.75 PLA2G4A (0.45) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL708371 0.71 POLB (0.54) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3960264 0.70 CCR2 (0.61) KMT2APOLBALDH1A1CYP1A2MCL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 933/4885MEN1 1200/4885POLB 1235/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KMT2A 933/4885MEN1 1200/4885POLB 1235/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KMT2A 933/4885MEN1 1200/4885POLB 1235/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 KMT2A 933/4885MEN1 1200/4885POLB 1235/4885

“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.