SCHEMBL10172467

SCHEMBL10172467

CB1OCc2ccc(Oc3ccccc3C#N)cc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.63
PDE4C Q08493 5/20 0.63
PDE4D Q08499 5/20 0.63
PDE4A P27815 4/20 0.63
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
AR P10275 4/20 0.43
LRRK2 Q5S007 1/20 0.39
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE1A P54750 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 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
SCHEMBL7864447 0.90 PDE4B (0.74) PDE4BPDE4CPDE4DPDE4APOLB
SCHEMBL13460289 0.85 PDE4B (0.82) PDE4BPDE4CPDE4DPDE4ACHRM1
SCHEMBL12446525 0.78 PDE4A (0.56) PDE4BPDE4CPDE4DPDE4A
SCHEMBL15012244 0.78 PDE4B (0.71) PDE4BPDE4CPDE4DPDE4APOLB
SCHEMBL595613 0.78 PDE4B (1.00) PDE4BPDE4CPDE4DPDE4ACHRM1
SCHEMBL12446526 0.78 ROCK2 (0.46) PDE4BPDE4CPDE4DPDE4A
SCHEMBL5583343 0.78 PDE4B (1.00) PDE4BPDE4CPDE4DPDE4ACHRM1
SCHEMBL10186869 0.76 PDE4B (0.55) PDE4BPDE4CPDE4DPDE4ACHRM1
SCHEMBL10186868 0.76 PDE4B (0.55) PDE4BPDE4CPDE4DPDE4AAR
SCHEMBL10186836 0.76 PDE4B (0.55) PDE4BPDE4CPDE4DPDE4AAR

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
US-8461336-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8168614-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110166104-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-07 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-20110166104-A1 BORON-CONTAINING SMALL MOLECULES NFKBIA, BCL6B, TNF PDE4B 543/4885PDE4C 1267/4885PDE4D 1523/4885

“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.