SCHEMBL21720125

SCHEMBL21720125

CC(C)(C)c1cscc1I

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 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
SCHEMBL50659 0.80 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21720126 0.71
SCHEMBL9885338 0.70 ALDH1A1 (0.35) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL628054 0.69
SCHEMBL21720231 0.68 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL21720519 0.68 SMN1; SMN2 (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL14747573 0.68 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL12732613 0.68 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL19696500 0.68 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL12731635 0.65 LMNA (0.42) ALDH1A1ALOX15

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 595/4885ALDH1A1 894/4885CYP1A2 6/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885ALDH1A1 894/4885CYP1A2 6/4885

“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.