SCHEMBL130308

SCHEMBL130308

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NAAA Q02083 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
SCHEMBL131932 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL130161 0.82 GAA (0.31) ALDH1A1
SCHEMBL119952 0.80 ALDH1A1 (0.36) ALDH1A1NAAA
SCHEMBL4839421 0.80 ALDH1A1 (0.36) ALDH1A1NAAA
SCHEMBL2380925 0.80 ALDH1A1 (0.39) ALDH1A1NAAA
SCHEMBL29044089 0.79 ALDH1A1 (0.39) ALDH1A1NAAA
Ethane SCHEMBL28422864 0.78 ALDH1A1 (0.38) ALDH1A1NAAA
SCHEMBL9635053 0.78 ALDH1A1 (0.35) ALDH1A1NAAA
SCHEMBL6784510 0.76 ALDH1A1 (0.39) ALDH1A1NAAA
SCHEMBL11696278 0.76 KDM4E (0.33) ALDH1A1NAAA

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 580/4885NAAA 2716/4885

“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.