SCHEMBL129216

SCHEMBL129216

CCOC(=O)C(CC(OCC)OCC)C(=O)COC

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL131332 0.83 ALDH1A1 (0.40) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL16046938 0.80 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL3687016 0.80 TDP1 (0.38) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL16047836 0.77 TDP1 (0.36) ALDH1A1TDP1MEN1KMT2ALMNA
Potassium Ion SCHEMBL130908 0.75 ALDH1A1 (0.33) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL3687012 0.74 MGAM (0.36) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL16046428 0.72 L3MBTL1 (0.34) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL14930173 0.72 L3MBTL1 (0.46) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL3453810 0.71 ALDH1A1 (0.40) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL20931265 0.71 ALDH1A1 (0.40) ALDH1A1TDP1MEN1KMT2ALMNA

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 ALDH1A1 580/4885TDP1 4125/4885MEN1 3295/4885

“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.