SCHEMBL4335569

SCHEMBL4335569

CCOC(=O)C=C1CCC(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.69
NR1H4 Q96RI1 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
EGFR P00533 2/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ADAM17 P78536 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 2/20 0.43

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
SCHEMBL12988517 0.89 ESR2 (0.52) ESR2MRGPRX4KCNH2ALDH1A1HTR2C
SCHEMBL13009580 0.87 ESR2 (0.52) ESR2NR1H4MRGPRX4L3MBTL1LMNA
SCHEMBL18400838 0.86 ESR2 (0.51) ESR2NR1H4MRGPRX4L3MBTL1LMNA
SCHEMBL1171537 0.86 ESR2 (0.78) ESR2L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10188554 0.82 ESR2 (1.00) ESR2ALDH1A1SMN1; SMN2
SCHEMBL18257860 0.81 ESR2 (0.82) ESR2L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29240499 0.79 ESR2 (0.56) ESR2NR1H4L3MBTL1ALDH1A1MAPT
SCHEMBL16743002 0.78 ESR2 (0.59) ESR2L3MBTL1LMNAALDH1A1MAPT
SCHEMBL18258349 0.78 ESR2 (0.59) ESR2L3MBTL1LMNAALDH1A1MAPT
SCHEMBL16984958 0.77 MRGPRX4 (0.47) MRGPRX4L3MBTL1LMNAKCNH2MAPT

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 4250/4885NR1H4 1283/4885MRGPRX4 2077/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ESR2 4247/4885NR1H4 1251/4885MRGPRX4 2082/4885

“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.