SCHEMBL129328

SCHEMBL129328

FC(F)Oc1ccc(Br)c(I)c1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.42
PDE4B Q07343 14/20 0.42
PDE4A P27815 10/20 0.42
PDE4C Q08493 10/20 0.42
ABCB11 O95342 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
SCHEMBL874503 0.80 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4431667 0.78 EP300 (0.36)
SCHEMBL27756339 0.75 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL127465 0.75 THRA (0.38) PDE4DPDE4BPDE4APDE4C
SCHEMBL4402862 0.74 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL23982177 0.72 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30476643 0.72 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL131011 0.72 PDE4B (0.56) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL28164154 0.71 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL6877898 0.71 PDE4B (0.43) 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.