SCHEMBL127749

SCHEMBL127749

COC(=O)c1c[c]cc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
CYP3A4 P08684 2/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5468937 0.77 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2516500 0.77 ALDH1A1 (0.49) LMNATSHRALDH1A1KDM4EHPGD
SCHEMBL5470293 0.77 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL9722787 0.77 TSHR (0.38) CA1CA2CA12CA7CA9
SCHEMBL27971659 0.75 CA1 (0.40) CA1CA2CA12CA7CA9
SCHEMBL6202400 0.75 LMNA (0.41) CA1CA2CA12CA7CA9
SCHEMBL1666445 0.74 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL130031 0.74 TSHR (0.44) CA1CA2CA12CA7CA9
SCHEMBL6199717 0.74 ALDH1A1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL7407070 0.74 LMNA (0.40) CA1CA2CA12CA7CA9

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 CA1 2208/4885CA2 1429/4885CA12 2239/4885

“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.