SCHEMBL4480745

SCHEMBL4480745

COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CRBN Q96SW2 4/20 0.38
HPGDS O60760 1/20 0.38
BTK Q06187 3/20 0.37
DDB1 Q16531 2/20 0.37
GABRA5 P31644 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL2945528 0.83 IKBKE (0.41) KDM4ENPC1RAB9AKMT2ASUV39H2
SCHEMBL27143789 0.81 HTT (0.41) KDM4EL3MBTL1BTKNPC1RAB9A
SCHEMBL31413435 0.81 HTT (0.41) KDM4EL3MBTL1BTKNPC1RAB9A
SCHEMBL16660952 0.77 IKBKE (0.34) BTKSUV39H2
SCHEMBL20428739 0.77 CCR1 (0.42) MAPK1KDM4EL3MBTL1BTKSUV39H2
SCHEMBL27359300 0.76 BTK (0.40) BTKKMT2ASUV39H2
SCHEMBL25198156 0.75 HDAC4 (0.35) BTKSUV39H2
SCHEMBL29447590 0.74 SPR (0.49) SPRMAPK1KDM4EL3MBTL1CRBN
SCHEMBL20400938 0.74 SPR (0.49) SPRMAPK1KDM4EL3MBTL1CRBN
SCHEMBL3542327 0.72 CYP1A2 (0.39) CRBNKMT2ASUV39H2

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-8586594-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-11-19 US disclosed
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
US-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US disclosed
US-8202878-B2 Type 2 diabetes, obesity, elevated plasma triglycerides, metabolic syndrome, non-alcoholic steatohepatitis, and non-alcoholic fatty liver disease;Trans [4-(4-{3-[2-(1-adamantyl)-2-hydroxyethoxy]-1H-pyrazol-5-yl}phenyl)cyclohexyl]acetic acid ABBOTT LABORATORIES (US) 2012-06-19 US disclosed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 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 (2 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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT SPR 1585/4885MAPK1 222/4885KDM4E 3158/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT SPR 1615/4885MAPK1 227/4885KDM4E 3211/4885

“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.