SCHEMBL22899042

SCHEMBL22899042

C#Cn1c(=O)n(C#CC#Cn2c(=O)n(CCC)c(=O)n(CCC)c2=O)c(=O)n(CCC)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.32
ADORA2A P29274 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
ADORA2B P29275 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL22899036 0.89 GSK3A (0.34) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22899014 0.86
SCHEMBL22898925 0.78 RGS4 (0.44) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22899087 0.78 RGS4 (0.44) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22899002 0.76
SCHEMBL23004665 0.73 GSK3A (0.35) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22899038 0.73 GSK3A (0.35)
SCHEMBL331903 0.72 PDE4A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL17537380 0.70 ADORA2B (0.40) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL17537363 0.70 ADORA2B (0.40) PDE4AADORA2APDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2021-01-21 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-20210020991-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY SLC9B2, SLC9A1, SLC9A2 PDE4A 3232/4885ADORA2A 4139/4885PDE4B 2483/4885

“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.