SCHEMBL4485834

SCHEMBL4485834

CCOC(=O)CC(=O)c1ccc(C2CCC(CC(=O)OCC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
DGAT1 O75907 4/20 0.46
CYP2C9 P11712 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4937649 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL180997 0.91 DGAT1 (0.47) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL180698 0.88 DGAT1 (0.46) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL7049036 0.88 ALDH1A1 (0.62) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL7049040 0.88 ALDH1A1 (0.62) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL602376 0.86 CYP2C9 (0.48) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL180806 0.86 CYP2C9 (0.48) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL4345232 0.85 DGAT1 (0.47) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL4343367 0.85 CYP2C9 (0.64) ALDH1A1MAPTLMNADGAT1CYP2C9
SCHEMBL4031356 0.85 HAO1 (0.61) ALDH1A1MAPTLMNAHAO1KMT2A

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 ALDH1A1 332/4885MAPT 2141/4885LMNA 3894/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALDH1A1 339/4885MAPT 2157/4885LMNA 3845/4885

“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.