SCHEMBL21720399

SCHEMBL21720399

CCCCCCCC(C)(CCCCC)n1cncc1I

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
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
SCHEMBL21721734 0.82 TBXAS1 (0.35) TBXAS1CNR1CNR2
SCHEMBL21721561 0.82 CYP3A4 (0.38) TBXAS1CNR1CNR2
SCHEMBL21721461 0.81 TBXAS1 (0.34) TBXAS1CNR1CNR2
SCHEMBL21721457 0.81 TBXAS1 (0.34) TBXAS1CNR1CNR2
SCHEMBL21721464 0.78 CNR2 (0.33) TBXAS1CNR1CNR2
SCHEMBL21721581 0.75
SCHEMBL24999101 0.75 ALDH1A1 (0.34) TBXAS1CNR1CNR2
SCHEMBL21721583 0.74 GGPS1 (0.30) GGPS1
SCHEMBL21721595 0.73 CNR2 (0.31) CNR2
SCHEMBL21721472 0.72

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 TBXAS1 895/4885CNR1 1509/4885CNR2 2191/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TBXAS1 895/4885CNR1 1509/4885CNR2 2191/4885

“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.