SCHEMBL7861634

SCHEMBL7861634

CB1OCc2cc(Oc3ccc(C(=O)NCCN(C)C)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PDE4B Q07343 9/20 0.49
PDE4A P27815 8/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
ALOX5 P09917 1/20 0.44
FYN P06241 1/20 0.42
RAD52 P43351 1/20 0.42
MMP13 P45452 1/20 0.41
MCHR1 Q99705 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL2529001 0.90 PDE4B (0.62) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL7866726 0.88 MMP13 (0.55) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL11993041 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL7862771 0.83 PDE4B (0.54) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL7862585 0.82 PDE4B (0.50) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL7861597 0.81 HPGD (0.60) PDE4BPDE4APDE4CPDE4DMMP13
SCHEMBL7862102 0.79 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL11993028 0.78 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863402 0.78 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL11993086 0.78 PDE4B (0.66) 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 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 ALDH1A1 3761/4885PDE4B 776/4885PDE4A 1019/4885

“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.