SCHEMBL127696

SCHEMBL127696

CCCCOCC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 3/20 0.41
PDK1 Q15118 1/20 0.36
CYP3A4 P08684 1/20 0.35
SPHK2 Q9NRA0 4/20 0.35
SPHK1 Q9NYA1 4/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL127440 0.93 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TDP1CYP1A2TSHR
SCHEMBL14257319 0.93 CYP1A2 (0.54) SMN1; SMN2ALDH1A1TDP1CYP1A2TSHR
SCHEMBL130814 0.91 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2
SCHEMBL14658202 0.90 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1CYP1A2TSHR
SCHEMBL125382 0.90
SCHEMBL12656490 0.88 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TDP1CYP1A2TSHR
SCHEMBL128700 0.88
SCHEMBL17262062 0.86 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2
SCHEMBL11995969 0.86 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2
SCHEMBL7943918 0.86 CYP1A2 (0.52) SMN1; SMN2ALDH1A1TDP1CYP1A2SPHK2

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 SMN1; SMN2 4613/4885ALDH1A1 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.