SCHEMBL128691

SCHEMBL128691

CCOC(=O)c1ccn(COCC[Si](C)(C)C)c1COC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.39
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TBXAS1 P24557 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28778931 0.85 KLKB1 (0.35) DGAT1
SCHEMBL25755852 0.84 TSHR (0.41) DGAT1TSHRKDM4EHSD17B10CA12
SCHEMBL127772 0.80 TSHR (0.43) TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL130163 0.80 DGAT1 (0.40) DGAT1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL129089 0.77 HSD17B10 (0.36) DGAT1TSHRKDM4EHSD17B10CA12
SCHEMBL2960376 0.75 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL23780721 0.73 DGAT1 (0.37) DGAT1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29442160 0.73 DGAT1 (0.37) DGAT1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30807913 0.73 KMT2A (0.45) DGAT1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL566860 0.73 KMT2A (0.45) DGAT1TSHRKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US 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 2027/4885TSHR 1420/4885KDM4E 1902/4885

“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.