SCHEMBL21719590

SCHEMBL21719590

CCCCCCC(C)(CCCCC)c1c[nH]cc1OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ACAT1 P24752 1/20 0.41
▸ SOAT1 P35610 1/20 0.41
▸ CNR2 P34972 8/20 0.40
▸ CNR1 P21554 5/20 0.37
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ALOX5 P09917 4/20 0.33
▸ PTGS2 P35354 3/20 0.33

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
SCHEMBL21719667 0.80 CES2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21719460 0.78 CNR2 (0.34) CNR2CNR1
SCHEMBL21718574 0.77 SQOR (0.31) CNR2
SCHEMBL21719666 0.77 GGPS1 (0.32) CNR2
SCHEMBL21719443 0.77 SCN5A (0.32) CNR2
SCHEMBL21719701 0.76 CNR2 (0.39) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL20313081 0.75 CNR2 (0.49) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21719805 0.73 CNR2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21720043 0.73 KDM4E (0.40) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21719577 0.70 LMNA (0.42) TP53CYP3A4ALOX15

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 KDM4E 595/4885TP53 3679/4885CYP3A4 19/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885TP53 3679/4885CYP3A4 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.

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