SCHEMBL21720870

SCHEMBL21720870

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
LRRK2 Q5S007 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL21720867 0.84 ASAH1 (0.33) CYP1A2CYP2C19CNR2
SCHEMBL21719257 0.84 ASAH1 (0.30)
SCHEMBL21720913 0.83
SCHEMBL21719261 0.83
SCHEMBL21720911 0.81 CNR2 (0.38) CNR1CNR2
SCHEMBL21720886 0.79 GABRA2 (0.33) GABRA2GABRB2LRRK2CNR1
SCHEMBL21720901 0.77 CNR2 (0.33) GABRA2GABRB2LRRK2CNR1CNR2
SCHEMBL20381733 0.75 LRRK2 (0.46) GABRA2GABRB2LRRK2
SCHEMBL21720864 0.74 MAPK8 (0.33) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL21719204 0.74 TLR8 (0.31)

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 GABRA2 2309/4885GABRB2 2694/4885LRRK2 3200/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA2 2309/4885GABRB2 2694/4885LRRK2 3200/4885

“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.