SCHEMBL21718577

SCHEMBL21718577

CCCCCCC(C)(CCCCC)c1cc(F)[nH]c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ TYMP P19971 2/20 0.30
▸ SCN5A Q14524 3/20 0.30
▸ SCN9A Q15858 3/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21719614 0.84 CNR2 (0.33) CNR2
SCHEMBL21719472 0.83 CNR2 (0.35) CNR2GPR84
SCHEMBL21719476 0.81 CNR2 (0.31) CNR2
SCHEMBL21719678 0.81 CNR2 (0.31) CNR2
SCHEMBL21719869 0.79 CNR2 (0.35) CNR2GPR84
SCHEMBL21719346 0.74 — —
SCHEMBL21719861 0.72 MEN1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL21719675 0.72 TYMP (0.30) TYMP
SCHEMBL20844231 0.72 KDM4E (0.32) SMN1; SMN2
SCHEMBL19965716 0.70 SCN5A (0.36) CNR2SCN5ASCN9AMEN1KMT2A

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 2191/4885GPR84 3584/4885TYMP 525/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885GPR84 3584/4885TYMP 525/4885

“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.

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