SCHEMBL21719636

SCHEMBL21719636

CCCCCCC(C)(CCCCC)c1cn[nH]c1I

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.36
CNR1 P21554 6/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 1/20 0.30
GGPS1 O95749 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
SCHEMBL21720097 0.82 CNR2 (0.37) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL19176924 0.81 CNR2 (0.36) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL21719792 0.81 CNR2 (0.34) CNR2CNR1
SCHEMBL21720080 0.81 CNR2 (0.36) CNR2CNR1
SCHEMBL21719797 0.81 CNR2 (0.34) CNR2CNR1
SCHEMBL21535600 0.76 CNR2 (0.36) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL21719852 0.71 GPR84 (0.35) CNR2GGPS1
SCHEMBL21719647 0.71 GGPS1 (0.30) GGPS1
SCHEMBL21719633 0.70 ALDH1A1 (0.38)
SCHEMBL21719666 0.70 GGPS1 (0.32) CNR2GGPS1

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 1509/4885CYP3A4 19/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885CYP3A4 19/4885

“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.