SCHEMBL21719451

SCHEMBL21719451

CCCCCCC(C)(CCCCC)c1cc(Br)nn1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.32
CNR1 P21554 4/20 0.32
AR P10275 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
SCHEMBL18811514 0.94 CNR2 (0.31) CNR2CNR1
SCHEMBL19819811 0.88 AR (0.33) AR
SCHEMBL22949542 0.83 ASAH1 (0.40) CNR2CNR1
SCHEMBL21719259 0.83 ASAH1 (0.40) CNR2CNR1
SCHEMBL22949546 0.83 ASAH1 (0.40) CNR2CNR1
SCHEMBL21719253 0.82 CNR2 (0.36) CNR2CNR1AR
SCHEMBL21718550 0.81 CNR2 (0.32) CNR2CNR1
SCHEMBL21719737 0.81 CNR2 (0.33) CNR2CNR1
SCHEMBL21719453 0.81 GGPS1 (0.33) CNR2CNR1
SCHEMBL22951538 0.81 ASAH1 (0.38) CNR2CNR1

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 2191/4885CNR1 1509/4885AR 2770/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885AR 2770/4885

“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.