SCHEMBL1444461

SCHEMBL1444461

Cc1c(C(=O)O)oc2ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.59
KDM4E B2RXH2 2/20 0.50
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR35 Q9HC97 1/20 0.49
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EDNRA P25101 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL1444097 0.87 MCL1 (0.60) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL1444187 0.87 MCL1 (0.63) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL4310466 0.84 MCL1 (0.67) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL10007230 0.80 MCL1 (0.55) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL3499014 0.79 MCL1 (0.78) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL20534824 0.76 KDM4E (0.59) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10293616 0.76 MCL1 (0.63) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL4615856 0.75 MCL1 (1.00) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL4763051 0.75 MCL1 (0.67) MCL1KDM4EGAAHPGDNPSR1
SCHEMBL1065472 0.75 MCL1 (0.71) MCL1KDM4EGAAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO 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 (1 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MCL1 2056/4885KDM4E 1503/4885GAA 176/4885

“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.