SCHEMBL130813

SCHEMBL130813

CCCCC[CH]OCC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL127439 0.94 CYP1A2 (0.39) CYP1A2ALDH1A1TSHR
SCHEMBL130840 0.92 FAAH (0.34) CYP1A2ALDH1A1TDP1TSHR
SCHEMBL125672 0.86 SMN1; SMN2 (0.32) CYP1A2ALDH1A1TDP1TSHR
SCHEMBL127695 0.86 CYP1A2 (0.32) CYP1A2
SCHEMBL128699 0.77
SCHEMBL125381 0.77
SCHEMBL3992943 0.73 ALDH1A1 (0.52) ALDH1A1TDP1TSHR
SCHEMBL131693 0.73
SCHEMBL129859 0.72 NAAA (0.38) CYP1A2ALDH1A1TSHR
SCHEMBL6305477 0.71 CYP1A2 (0.38) CYP1A2

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 CYP1A2 84/4885ALDH1A1 580/4885TDP1 4125/4885

“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.