SCHEMBL4334244

SCHEMBL4334244

C[Si](C)(C)CCOC(=O)CC(=O)OCC[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
NAAA Q02083 1/20 0.32
CYP2C19 P33261 1/20 0.32
DGKA P23743 1/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL4334241 0.89 MGAM (0.36) MGAMGAASIMGAM2ADRA2A
SCHEMBL2885490 0.89 GAA (0.46) MGAMGAASIMGAM2ADRA2A
SCHEMBL9518326 0.87 MGAM (0.34) MGAMGAASIMGAM2ADRA2A
SCHEMBL9518327 0.85 CA4 (0.35) MGAMGAASIMGAM2FAAH
SCHEMBL10549299 0.84 TDP1 (0.42) MGAMGAASIMGAM2MAPT
SCHEMBL12296672 0.83 NAAA (0.50) MGAMGAASIMGAM2ADRA2A
SCHEMBL1555575 0.81 CYP2C19 (0.54) ADRA2AADRA1AFAAHMAPTBLM
SCHEMBL8830943 0.81 HTR2C (0.35) ADRA2AADRA1AMAPTBLMNAAA
SCHEMBL7840759 0.81 ADRA2A (0.32) ADRA2AADRA1AMAPTBLMNAAA
SCHEMBL18161959 0.81

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-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
EP-0300657-B1 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES MERCK & CO. INC. (US) 1993-03-31 EP disclosed
EP-0300657-A2 4-substituted 3-oxobutanoate ester derivatives MERCK & CO. INC. (US) 1989-01-25 EP 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 MGAM 427/4885GAA 152/4885SI 527/4885
US-20080182861-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MGAM 427/4885GAA 142/4885SI 500/4885

“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.