SCHEMBL7861724

SCHEMBL7861724

CB1OCc2cc(Oc3ccccc3C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.49
PDE4A P27815 8/20 0.49
PDE4C Q08493 8/20 0.49
PDE4D Q08499 8/20 0.49
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15929851 0.86 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL7855708 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864261 0.82 PDE4A (0.55) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL17677320 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7857737 0.81 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864353 0.81 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL7855446 0.80 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL7866638 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863402 0.80 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7863068 0.79 PDE4B (0.58) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
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-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US 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 (5 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20120214765-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.