SCHEMBL21720901

SCHEMBL21720901

CCCCCCCC(C)(CCCCCC)n1cc(C(F)(F)F)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.33
ASAH1 Q13510 1/20 0.33
HSD11B1 P28845 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CNR1 P21554 4/20 0.31
LRRK2 Q5S007 2/20 0.31
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL21719204 0.85 TLR8 (0.31) TLR8
SCHEMBL21720886 0.84 GABRA2 (0.33) TLR8CNR1LRRK2GABRA2GABRB2
SCHEMBL21721078 0.84 TLR8 (0.30) TLR8
SCHEMBL21719215 0.84 TLR8 (0.30) TLR8
SCHEMBL21166150 0.83 CNR2 (0.31) CNR2CNR1
SCHEMBL21721081 0.83 CNR2 (0.33) CNR2TLR8CNR1
SCHEMBL21720867 0.81 ASAH1 (0.33) CNR2ASAH1
SCHEMBL21719257 0.78 ASAH1 (0.30) ASAH1
SCHEMBL21720911 0.77 CNR2 (0.38) CNR2ASAH1CNR1
SCHEMBL21720870 0.77 GABRA2 (0.36) CNR2CNR1LRRK2GABRA2GABRB2

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CNR2 2191/4885ASAH1 3007/4885HSD11B1 318/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885ASAH1 3007/4885HSD11B1 318/4885

“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.