SCHEMBL21719211

SCHEMBL21719211

CCCC(C)(C)c1cc(C)ncc1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.32
UHRF1 Q96T88 1/20 0.31
NR3C1 P04150 1/20 0.30
CYP3A4 P08684 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
SCHEMBL21719039 0.86
SCHEMBL22624166 0.85 AAK1 (0.33) AAK1UHRF1NR3C1CYP3A4
SCHEMBL21719299 0.81 UHRF1 (0.36) UHRF1NR3C1CYP3A4
SCHEMBL21719286 0.79 UHRF1 (0.34) UHRF1
SCHEMBL21719300 0.79 UHRF1 (0.31) UHRF1
SCHEMBL21719276 0.79 CNR2 (0.33) UHRF1
SCHEMBL19297885 0.77 NR3C1 (0.35) NR3C1CYP3A4
SCHEMBL20844147 0.77 UHRF1 (0.37) AAK1UHRF1
SCHEMBL21718464 0.74 CNR1 (0.30)
SCHEMBL22624051 0.73 UHRF1 (0.34) AAK1UHRF1

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 AAK1 1198/4885UHRF1 2137/4885NR3C1 1106/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK AAK1 1198/4885UHRF1 2137/4885NR3C1 1106/4885

“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.