SCHEMBL21718545

SCHEMBL21718545

COc1c(C)n[nH]c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 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
SCHEMBL21719423 0.77 PTGS2 (0.32) PTGS2
SCHEMBL21718546 0.74 DYRK1A (0.50) DYRK1A
SCHEMBL14074135 0.72
SCHEMBL23869414 0.71
SCHEMBL12045637 0.70 DYRK1A (0.35) DYRK1A
SCHEMBL21718547 0.68 DYRK1A (0.33) DYRK1A
SCHEMBL16939220 0.68 DYRK1A (0.33) DYRK1A
SCHEMBL21719450 0.68 DYRK1A (0.33) DYRK1A
SCHEMBL21719447 0.68 DYRK1A (0.33) DYRK1A
SCHEMBL25437880 0.68

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 PTGS2 1052/4885KDM4E 595/4885POLB 4045/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PTGS2 1052/4885KDM4E 595/4885POLB 4045/4885

“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.