SCHEMBL7856347

SCHEMBL7856347

CB1OCc2cc(Oc3ccc(C=O)cn3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PDE4B Q07343 15/20 0.51
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.46
PDE4A P27815 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2527874 0.86 PDE4B (0.65) KDM4EPDE4BALDH1A1L3MBTL1PDE4A
SCHEMBL17677321 0.86 PDE4B (0.41) KDM4EPDE4BALDH1A1PDE4APDE4C
SCHEMBL7862756 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7862625 0.83 PDE4B (0.52) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL11993042 0.83 PDE4B (0.52) KDM4EPDE4BALDH1A1PDE4APDE4C
SCHEMBL18595818 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7862637 0.80 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL15500061 0.79 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL7866404 0.78 PDE4B (0.48) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL7864016 0.78 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810946-B1 1,1'-[1,omega-alkyldiylbis(oxy)]bis[1,3-dihydro-2,1-benzoxaborole as volatile antimicrobial compounds AGROFRESH INC (US) 2016-04-13 EP disclosed
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 KDM4E 4296/4885PDE4B 776/4885ALDH1A1 3761/4885

“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.