SCHEMBL7863790

SCHEMBL7863790

CB1OCc2cc(Oc3ccc(C(N)=O)c(OC(C)=O)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.43
PDE4A P27815 11/20 0.42
PDE4C Q08493 11/20 0.42
PDE4D Q08499 11/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
PDE1A P54750 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 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
SCHEMBL7863888 0.81 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7855708 0.78 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL11993028 0.76 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL18015950 0.74 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863402 0.73 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7855804 0.73 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL18015961 0.73 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7864419 0.73 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL7862771 0.72 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL7861724 0.72 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885

“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.