SCHEMBL3633732

SCHEMBL3633732

COC(=O)COC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 2/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD3 P35462 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
SCHEMBL3631858 0.83 MAPK1 (0.46) MAPK1KMT2AL3MBTL1OPRM1OPRD1
SCHEMBL28601266 0.82 MAPT (0.43) MAPK1KMT2AMEN1CYP1A2HPGD
SCHEMBL19128530 0.75 OPRM1 (0.38) MAPK1OPRM1OPRD1ALDH1A1HDAC1
SCHEMBL12845017 0.73 ALOX5 (0.38) MAPK1L3MBTL1OPRM1OPRD1ALDH1A1
SCHEMBL14711534 0.73 HPGD (0.47) MAPK1KMT2AL3MBTL1MEN1CYP1A2
SCHEMBL16179365 0.72 MIF (0.39) ALDH1A1
SCHEMBL27970983 0.71 ALDH1A1 (0.39) MAPK1KMT2AL3MBTL1MEN1CYP1A2
SCHEMBL3054538 0.71 HDAC1 (0.50) MAPK1KMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL1739685 0.71 OPRM1 (0.38) KMT2AL3MBTL1MEN1OPRM1OPRD1
SCHEMBL3048440 0.70 CYP2A6 (0.36) MAPK1L3MBTL1OPRM1OPRD1ALDH1A1

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
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
CN-103641823-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC 2014-03-19 CN disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
CN-101743234-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-06-16 CN disclosed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT MAPK1 1316/4885KMT2A 1044/4885L3MBTL1 897/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPK1 1316/4885KMT2A 1044/4885L3MBTL1 897/4885

“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.