SCHEMBL4940938

SCHEMBL4940938

O=C(O)CC1CCC(c2ccc(-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.59
ESR2 Q92731 7/20 0.57
ESR1 P03372 6/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
SOAT1 P35610 3/20 0.53
FAAH O00519 1/20 0.53
CHRM2 P08172 1/20 0.53
DGAT2 Q96PD7 1/20 0.53
PDE10A Q9Y233 1/20 0.53
CYP2D6 P10635 1/20 0.51
SOAT2 O75908 1/20 0.49

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
SCHEMBL462294 0.95 ESR2 (0.62) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL18763873 0.95 ESR2 (0.62) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL2259544 0.95 ESR2 (0.62) DGAT1ESR2ESR1CYP3A4CYP2C9
SCHEMBL3538810 0.81 IDO1 (0.57) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL17318281 0.81 IDO1 (0.57) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL3538808 0.81 IDO1 (0.57) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL12840849 0.80 ESR2 (0.71) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL13955970 0.80 ESR2 (0.71) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3537767 0.80 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL11108164 0.80 DGAT1 (0.55) DGAT1CYP2C9SOAT1FAAHCHRM2

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-20120238581-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-09-20 US claimed
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US claimed
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
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2008-07-31 US 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 DGAT1 1/4885ESR2 4250/4885ESR1 4084/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT DGAT1 1/4885ESR2 4247/4885ESR1 4092/4885

“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.