SCHEMBL7864447

SCHEMBL7864447

CB1OCc2cc(Oc3ccccc3C#N)ccc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.74
PDE4A P27815 9/20 0.74
PDE4C Q08493 8/20 0.74
PDE4D Q08499 8/20 0.74
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
PDE1A P54750 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE7A Q13946 1/20 0.46
PDE3A Q14432 1/20 0.46
AR P10275 2/20 0.43
LRRK2 Q5S007 1/20 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
SCHEMBL10172467 0.90 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL10186869 0.86 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL15012244 0.85 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL10186836 0.85 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186868 0.85 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583343 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL595613 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7857737 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7864353 0.82 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186865 0.82 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCHRM1

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 49 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-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-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-11766043-B2 Vaporized administration of pesticides AGROFRESH INC. (US) 2023-09-26 US disclosed
US-20220361503-A1 LARGE-SCALE METHODS OF UNIFORMLY COATING PACKAGING SURFACES WITH A VOLATILE ANTIMICROBIAL TO PRESERVE FOOD FRESHNESS ALTER DOMUS US LLC 2022-11-17 US disclosed
WO-2022094214-A1 TREATMENT AND SYSTEM FOR CANNABIS PLANT SPECIES APPLICATIONS WITH ETHYLENE INHIBITORS AGROFRESH INC. (US) 2022-05-05 WO disclosed
US-20220125049-A1 METHOD AND SYSTEM FOR CENTRALIZED MANAGEMENT, MONITORING, AND CONTROLLED DELIVERY OF BIOLOGICAL COMPOUNDS TO FRUIT STORAGE ROOMS ALTER DOMUS US LLC 2022-04-28 US disclosed
US-11202448-B2 Volatile applications against pathogens AGROFRESH INC. (US) 2021-12-21 US disclosed
US-20210238201-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS ALTER DOMUS US LLC 2021-08-05 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-8669207-B1 Compounds and compositions DOW AGROSCIENCES, LLC. (US) 2014-03-11 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-11202448-B2 Volatile applications against pathogens OXA1L, VAPB, TIAL1 PDE4B 2903/4885PDE4A 3573/4885PDE4C 3602/4885
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-20210238201-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS OXA1L, BROX, CAT PDE4B 2615/4885PDE4A 3516/4885PDE4C 2945/4885
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20240206470-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 PDE4B 2903/4885PDE4A 3573/4885PDE4C 3602/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4B 776/4885PDE4A 1019/4885PDE4C 1729/4885
US-11766043-B2 Vaporized administration of pesticides GPX4, CAT, PRDX2 PDE4B 1459/4885PDE4A 1522/4885PDE4C 1124/4885
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-20220125049-A1 METHOD AND SYSTEM FOR CENTRALIZED MANAGEMENT, MONITORING, AND CONTROLLED DELIVERY OF BIOLOGICAL COMPOUNDS TO FRUIT STORAGE ROOMS NEFM, BIRC8, TNF PDE4B 1967/4885PDE4A 2481/4885PDE4C 1664/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20220361503-A1 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-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.