SCHEMBL21719469

SCHEMBL21719469

Cc1[nH]c(F)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ATP2A2 P16615 1/20 0.33
▸ ATP2A3 Q93084 1/20 0.33
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CA1 P00915 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
SCHEMBL21719465 0.79 KDM4E (0.32) ALDH1A1SMN1; SMN2CA2CYP1A2KDM4E
SCHEMBL21719611 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL12402395 0.75 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL20844231 0.74 KDM4E (0.32) ALDH1A1SMN1; SMN2CA2CYP1A2KDM4E
SCHEMBL29330288 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL21719866 0.71 CA1 (0.36) ALDH1A1SMN1; SMN2CA2CYP1A2KDM4E
SCHEMBL21736999 0.70 — —
SCHEMBL29330322 0.70 KDM4E (0.35) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL21737373 0.69 — —
SCHEMBL20844173 0.69 — —

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 3 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
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 — — EP 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 894/4885SMN1; SMN2 3624/4885CA2 3320/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA2 3320/4885

“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.

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