SCHEMBL21719941

SCHEMBL21719941

Cc1c(C(C)(C)C)cc(F)n1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA1 P00915 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
SCHEMBL21479578 0.82 HSD11B1 (0.37)
SCHEMBL21719919 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL13990457 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL21719934 0.76 KDM4E (0.31) ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT
SCHEMBL21719716 0.76 KDM4E (0.31) ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT
SCHEMBL21718591 0.76 KDM4E (0.31) ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT
SCHEMBL29330363 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL18653069 0.73 POLB (0.33) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL21719903 0.72 CA1 (0.35) CA2ALOX15CA1
SCHEMBL21479576 0.72

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 894/4885SMN1; 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.