SCHEMBL21719976

SCHEMBL21719976

CCCC(C)(C)c1sccc1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.34
RIPK1 Q13546 1/20 0.34
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21720129 0.78 RIPK1 (0.30) RIPK1
SCHEMBL21970059 0.78 CA2 (0.30)
SCHEMBL21720441 0.78 ESR1 (0.30) ESR1
SCHEMBL18869546 0.78 MEN1 (0.30)
SCHEMBL21719960 0.78
SCHEMBL20363316 0.77 RIPK1 (0.33) RIPK1GSK3B
SCHEMBL23328657 0.77
SCHEMBL21720435 0.76 KEAP1 (0.42)
SCHEMBL13868022 0.75 RIPK1 (0.39) RIPK1GSK3BNPC1PKMRAB9A
SCHEMBL802210 0.73 PKM (0.38) RIPK1GSK3BNPC1PKMRAB9A

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 ESR1 1610/4885RIPK1 1569/4885AR 2770/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ESR1 1610/4885RIPK1 1569/4885AR 2770/4885

“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.