SCHEMBL131019

SCHEMBL131019

[CH2]C(CC)(CC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.33
KCNN4 O15554 1/20 0.32
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TET2 Q6N021 1/20 0.30
PTPRB P23467 1/20 0.30

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
SCHEMBL128153 0.77 CYP4F2 (0.44) ALDH1A1TSHRMGAMGAASI
SCHEMBL1902123 0.76
SCHEMBL809243 0.75 DGAT1 (0.40) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL131854 0.73 HCAR2 (0.38) ALDH1A1TSHR
SCHEMBL127989 0.73 TSHR (0.39) TSHR
SCHEMBL28476981 0.73 DGAT1 (0.32) DGAT1ALDH1A1POLB
SCHEMBL2477744 0.72 CYP4F2 (0.39) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL2475483 0.72 DGAT1 (0.44) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL29674742 0.72 DGAT1 (0.39) DGAT1ALDH1A1POLBTSHRKCNN4
SCHEMBL11471022 0.71 DGAT1 (0.42) DGAT1ALDH1A1TSHRKCNN4MGAM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101835757-B Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2014-03-05 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (1 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 DGAT1 2027/4885ALDH1A1 580/4885POLB 3501/4885

“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.