SCHEMBL7861346

SCHEMBL7861346

CCOC(=O)c1ccc(Oc2ccc3c(c2)COB3C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.55
PDE4A P27815 8/20 0.43
PDE4C Q08493 8/20 0.43
PDE4D Q08499 8/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GABRP O00591 4/20 0.39
GABRD O14764 4/20 0.39
GABRA1 P14867 4/20 0.39
GABRB1 P18505 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA4 P48169 4/20 0.39

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
SCHEMBL2532146 0.89 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL15012857 0.88 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL11993031 0.85 HRH3 (0.49) PDE4BPDE4APDE4CPDE4DHRH3
SCHEMBL7864845 0.83 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL18015957 0.81 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL14748406 0.80 PDE4B (0.42) PDE4BGABRPGABRDGABRA1GABRB1
SCHEMBL18015950 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL18015967 0.77 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DGABRA5
SCHEMBL18015951 0.77 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863839 0.76 GAA (0.49) PDE4B

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.