SCHEMBL4885267

SCHEMBL4885267

COc1ccc(C(=O)OC(=Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
PDE4D Q08499 6/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4884587 0.88 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL1027619 0.78 PDE4D (0.52) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL1027617 0.78 PDE4D (0.52) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL1029901 0.77 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL1029900 0.77 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CTSHR
SCHEMBL1030403 0.76 PDE4D (0.48) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL1027013 0.76 PDE4D (0.48) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL1027012 0.76 PDE4D (0.48) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL3193286 0.75 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL4885939 0.75 PDE4D (0.61) PDE4DPDE4APDE4BPDE4C

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 MAPT 3580/4885PDE4D 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.