SCHEMBL7862637

SCHEMBL7862637

[C-]#[N+]c1ccc(Oc2ccc3c(c2)COB3C)nc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.49
PDE4A P27815 6/20 0.39
PDE4C Q08493 6/20 0.39
PDE4D Q08499 6/20 0.39
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL7857182 0.86 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7857739 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993042 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7862625 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL10186833 0.83 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7862450 0.82 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186835 0.81 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL11993020 0.80 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL15500061 0.80 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL7856347 0.80 KDM4E (0.52) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2024-06-27 US disclosed
US-11771089-B2 Large-scale methods of uniformly coating packaging surfaces with a volatile antimicrobial to preserve food freshness AGROFRESH INC. (US) 2023-10-03 US disclosed
US-20170164615-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH, INC. 2017-06-15 US disclosed
US-9585396-B2 Volatile applications against pathogens AGROFRESH INC. (US) 2017-03-07 US disclosed
US-20160374344-A9 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH, INC. (US) 2016-12-29 US disclosed
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9426996-B2 Use of benzoxaboroles as volatile antimicrobial agents on meats, plants, or plant parts AGROFRESH INC. (US) 2016-08-30 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-20140221312-A1 USE OF BENZOXABOROLES AS VOLATILE ANTIMICROBIAL AGENTS ON MEATS, PLANTS, OR PLANT PARTS DOW AGROSCIENCES LLC (US) 2014-08-07 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 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-8168614-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 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 (12 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20170164615-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, TIAL1, VAPB PDE4B 2434/4885PDE4A 3366/4885PDE4C 3242/4885
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 PDE4B 2903/4885PDE4A 3573/4885PDE4C 3602/4885
US-20140221312-A1 USE OF BENZOXABOROLES AS VOLATILE ANTIMICROBIAL AGENTS ON MEATS, PLANTS, OR PLANT PARTS OXA1L, BROX, BOLA2; BOLA2B PDE4B 2570/4885PDE4A 3080/4885PDE4C 3113/4885
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-11771089-B2 Large-scale methods of uniformly coating packaging surfaces with a volatile antimicrobial to preserve food freshness TAS2R10, FOSB, TMBIM6 PDE4B 1464/4885PDE4A 2280/4885PDE4C 2392/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20160374344-A9 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, TIAL1, VAPB PDE4B 2434/4885PDE4A 3366/4885PDE4C 3242/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
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.