SCHEMBL21719949

SCHEMBL21719949

CCCCCCCC(C)(CCCC)c1cc(OC)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.34
CNR1 P21554 8/20 0.34
MPO P05164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACAT1 P24752 1/20 0.33
SOAT1 P35610 1/20 0.33
PTGS2 P35354 4/20 0.31
TRPV1 Q8NER1 1/20 0.31
KMT2A Q03164 1/20 0.30
ALOX5 P09917 3/20 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
SCHEMBL21784433 0.81 CNR2 (0.34) CNR2CNR1
SCHEMBL21719733 0.79 CNR2 (0.32) CNR2CNR1
SCHEMBL21719951 0.79 CNR2 (0.32) CNR2CNR1
SCHEMBL21718599 0.79 CNR2 (0.34) CNR2CNR1
SCHEMBL21719484 0.79 CNR2 (0.32) CNR2CNR1
SCHEMBL21719697 0.79 CNR2 (0.35) CNR2CNR1
SCHEMBL18415108 0.79 CNR2 (0.35) CNR2CNR1
SCHEMBL21784458 0.75 CNR2 (0.32) CNR2CNR1
SCHEMBL21719988 0.72 CNR2 (0.32) CNR2CNR1MPOKDM4ETP53
SCHEMBL21719253 0.72 CNR2 (0.36) CNR2CNR1MPOKDM4ETP53

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 1509/4885MPO 1909/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CNR2 2191/4885CNR1 1509/4885MPO 1909/4885

“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.