SCHEMBL21720163

SCHEMBL21720163

COc1ccn(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA4 P22748 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 3/20 0.31
MAPK1 P28482 2/20 0.31
LPO P22079 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20346960 0.71 GPBAR1 (0.30)
SCHEMBL20346961 0.71 RIPK1 (0.41) TDP1
SCHEMBL4072929 0.69 TSHR (0.31) KDM4E
SCHEMBL3258502 0.69
SCHEMBL13330360 0.68 ALDH1A1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL21719936 0.67 MEN1 (0.31)
SCHEMBL20858082 0.67 ESR1 (0.33) CYP3A4
SCHEMBL21718638 0.67 CYP17A1 (0.31)
SCHEMBL26596871 0.67
SCHEMBL21720194 0.67

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 CA1 4296/4885CA2 3320/4885CA7 3886/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885CA7 3886/4885

“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.