SCHEMBL1444097

SCHEMBL1444097

Cc1c(C(=O)O)oc2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.60
KDM4E B2RXH2 2/20 0.53
GPR35 Q9HC97 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL1444187 0.88 MCL1 (0.63) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL4310466 0.88 MCL1 (0.67) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL1444461 0.87 MCL1 (0.59) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL3499014 0.85 MCL1 (0.78) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL10007230 0.81 MCL1 (0.55) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL4763051 0.78 MCL1 (0.67) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL1065472 0.78 MCL1 (0.71) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL19744165 0.78 MEN1 (0.55) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL31741933 0.78 MEN1 (0.55) MCL1KDM4EGPR35NPSR1HPGD
SCHEMBL9221054 0.77 MAPT (0.54) MCL1KDM4ENPSR1HPGDSMN1; SMN2

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 1503/4885GPR35 666/4885

“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.