SCHEMBL125673

SCHEMBL125673

CCCCCOCC1CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.41
CES2 O00748 2/20 0.40
USP2 O75604 1/20 0.38
CES1 P23141 1/20 0.36

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
SCHEMBL130841 0.98 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL13923572 0.98 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL8434237 0.98 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL13107064 0.93 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL125382 0.92
SCHEMBL14658202 0.92 SMN1; SMN2 (0.58) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL127440 0.91 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL12656490 0.91 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL9406577 0.89 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2HTTMEN1
SCHEMBL9406952 0.89 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2HTTMEN1

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 4125/4885SMN1; SMN2 4613/4885

“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.