SCHEMBL21719667

SCHEMBL21719667

CCCCCCC(C)(CCCCC)c1c[nH]cc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACAT1 P24752 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ CNR2 P34972 2/20 0.30
▸ LPAR1 Q92633 1/20 0.30
▸ LPAR3 Q9UBY5 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
SCHEMBL21719460 0.81 CNR2 (0.34) CES2CNR2
SCHEMBL21719590 0.80 KDM4E (0.41) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21719666 0.79 GGPS1 (0.32) CES2CNR2
SCHEMBL21718574 0.79 SQOR (0.31) CES2CNR2
SCHEMBL21719443 0.79 SCN5A (0.32) CES2CNR2
SCHEMBL26053254 0.75 SMN1; SMN2 (0.36) CNR2
SCHEMBL21719679 0.75 ICMT (0.35) —
SCHEMBL21719605 0.75 — —
SCHEMBL21719639 0.73 — —
SCHEMBL19059646 0.73 SMN1; SMN2 (0.35) CNR2

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 CES2 2171/4885KDM4E 595/4885TP53 3679/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CES2 2171/4885KDM4E 595/4885TP53 3679/4885

“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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