SCHEMBL4884587

SCHEMBL4884587

COc1ccc(C(=O)OC(=Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.50
PDE4B Q07343 13/20 0.50
PDE4A P27815 12/20 0.50
PDE4C Q08493 12/20 0.50
MAPK14 Q16539 1/20 0.46
PDE5A O76074 1/20 0.44

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
SCHEMBL4885267 0.88 MAPT (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL3193286 0.86 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL4885939 0.86 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL6865598 0.79 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL1081724 0.79 PDE4A (0.55) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL6862920 0.78 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL3199150 0.74 PDE4A (0.79) PDE4DPDE4BPDE4APDE4C
SCHEMBL1030472 0.74 PDE4A (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL1030473 0.74 PDE4A (0.54) PDE4DPDE4BPDE4APDE4C
SCHEMBL5309884 0.74 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A.. 2008-01-17 US 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-20080015226-A1 Derivatives of 1-phenyl-2-pyridynyl alkylene alcohols as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 PDE4D 9/4885PDE4B 2/4885PDE4A 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.