SCHEMBL4474358

SCHEMBL4474358

CCOC(=O)C=C1CCC(c2ccc(-c3cc(OCc4ccccc4OC(F)(F)F)[nH]n3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
GLP1R P43220 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN9A Q15858 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
DGAT1 O75907 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AKT1 P31749 1/20 0.33
TACR3 P29371 1/20 0.33
SLC6A2 P23975 1/20 0.32

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
SCHEMBL4491957 0.84 ALOX5AP (0.38) GLP1RSCN9ADGAT1ALOX5APFEN1
SCHEMBL4472538 0.81 GLP1R (0.39) GLP1RMAPK1SCN9ADGAT1ALOX5AP
SCHEMBL4933274 0.80 GLP1R (0.40) GLP1RSCN9ADGAT1ALOX5APFEN1
SCHEMBL4934121 0.77 ALOX5AP (0.36) GLP1RMAPK1SCN9ADGAT1ALOX5AP
SCHEMBL1171537 0.62 ESR2 (0.78) ESR2JAK2JAK1SMN1; SMN2
SCHEMBL15800268 0.60 DGAT1 (0.40) SCN9ADGAT1FFAR4PTGES
SCHEMBL4500014 0.59 SCN9A (0.72) SCN9AHPGDS
SCHEMBL19555643 0.59 ESR2 (0.49) ESR2JAK2JAK1
SCHEMBL13009524 0.59 ROCK2 (0.44) SMN1; SMN2ROCK2
SCHEMBL28462397 0.59 ESR2 (0.64) ESR2JAK2JAK1RECQLSMN1; 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 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 ESR2 4250/4885GLP1R 1035/4885JAK2 2347/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ESR2 4247/4885GLP1R 983/4885JAK2 2414/4885

“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.