SCHEMBL21719299

SCHEMBL21719299

CCCC(C)(C)c1cc(C)ncc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.36
SSTR4 P31391 1/20 0.33
NUDT1 P36639 2/20 0.32
ESR1 P03372 1/20 0.32
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21718464 0.84 CNR1 (0.30)
SCHEMBL21719276 0.81 CNR2 (0.33) UHRF1
SCHEMBL21719211 0.81 AAK1 (0.32) UHRF1NR3C1CYP3A4
SCHEMBL21719300 0.81 UHRF1 (0.31) UHRF1
SCHEMBL21719286 0.81 UHRF1 (0.34) UHRF1AR
SCHEMBL18639236 0.78 UHRF1 (0.38) UHRF1SSTR4NUDT1CYP1A2CYP2A6
SCHEMBL21207697 0.77 SSTR4 (0.39) UHRF1SSTR4ESR1ESR2
SCHEMBL13647759 0.74 UHRF1 (0.44) UHRF1SSTR4NUDT1CYP1A2CYP2A6
SCHEMBL21207590 0.74 CNR2 (0.41) UHRF1SSTR4
SCHEMBL22043381 0.72 PRKCH (0.33) ESR1ARESR2CYP1A2CYP2A6

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 UHRF1 2137/4885SSTR4 4611/4885NUDT1 1009/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK UHRF1 2137/4885SSTR4 4611/4885NUDT1 1009/4885

“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.