SCHEMBL21719795

SCHEMBL21719795

CC(C)(C)c1cn[nH]c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TRPA1 O75762 1/20 0.34
AXL P30530 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
SCHEMBL6762227 0.75 ALDH1A1 (0.50) ALDH1A1TRPA1
SCHEMBL10183718 0.73 AKT2 (0.39) ALDH1A1TRPA1
SCHEMBL12561452 0.73 TSHR (0.39) ALDH1A1TRPA1
SCHEMBL21719790 0.71 ALDH1A1 (0.34) ALDH1A1TRPA1
SCHEMBL21719633 0.71 ALDH1A1 (0.38) ALDH1A1TRPA1
SCHEMBL22379871 0.68 CA1 (0.33) ALDH1A1TRPA1AXL
SCHEMBL10183444 0.68 KCNH2 (0.34) ALDH1A1TRPA1
SCHEMBL24687930 0.67 TIPARP (0.40)
SCHEMBL22131126 0.67 TRPA1 (0.32) ALDH1A1TRPA1
SCHEMBL21719457 0.67 ALDH1A1 (0.47) ALDH1A1

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 ALDH1A1 894/4885TRPA1 2165/4885AXL 2943/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885TRPA1 2165/4885AXL 2943/4885

“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.