SCHEMBL129404

SCHEMBL129404

CC1(C)OB(c2ccc(OC(F)F)c(OC3CC3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.41
PDE4B Q07343 11/20 0.41
PDE4A P27815 8/20 0.41
PDE4C Q08493 7/20 0.41
BACE1 P56817 3/20 0.40
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37

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
SCHEMBL129660 0.95 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CBACE1
SCHEMBL127954 0.85 PDE4A (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL2408634 0.83 CSF1R (0.42) PDE4DPDE4BPDE4APDE4CLPL
SCHEMBL129403 0.83 PDE4B (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL130052 0.82 LPL (0.40) BACE1LPLLIPG
SCHEMBL20448945 0.81 CSF1R (0.42) PDE4DPDE4BPDE4APDE4CBACE1
SCHEMBL15968637 0.81 LPL (0.38) BACE1LPLLIPG
SCHEMBL15969407 0.81 GRM2 (0.38) BACE1LPLLIPG
SCHEMBL129705 0.80 PDE4A (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL129694 0.80 PDE4A (0.52) PDE4DPDE4BPDE4APDE4C

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 PDE4D 3827/4885PDE4B 3261/4885PDE4A 3035/4885

“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.