SCHEMBL4709683

SCHEMBL4709683

COc1ccc(C(=O)CC(C)=O)cc1OC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.65
PDE4D Q08499 10/20 0.65
PDE4A P27815 8/20 0.65
PDE4C Q08493 8/20 0.65
MAPK14 Q16539 1/20 0.62

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
SCHEMBL6585967 0.86 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL131830 0.85 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5565347 0.85 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL128167 0.85 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7329999 0.84 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5309884 0.83 PDE4D (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL27472680 0.83 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7340272 0.83 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5349155 0.83 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL1322947 0.83 MAPT (0.61) PDE4BPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US disclosed
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO 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 (2 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885PDE4D 9/4885PDE4A 1/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885PDE4D 9/4885PDE4A 1/4885

“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.