SCHEMBL21719225

SCHEMBL21719225

CC(C)(C)c1cc(F)cnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 1/20 0.30
AGBL2 Q5U5Z8 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL27291201 0.81 PIK3CD (0.35) PIK3CD
SCHEMBL30510548 0.81 PIK3CD (0.50) PIK3CDALDH1A1GPBAR1ALOX15
SCHEMBL30510546 0.81 PIK3CD (0.50) PIK3CDALDH1A1GPBAR1ALOX15
SCHEMBL11189186 0.81 PIK3CD (0.50) PIK3CDALDH1A1GPBAR1ALOX15
SCHEMBL15205126 0.80 PIK3CD (0.30) PIK3CDGPBAR1
SCHEMBL31718384 0.80 PIK3CD (0.30) PIK3CDGPBAR1
SCHEMBL31718243 0.80 ALDH1A1 (0.31) PIK3CDALDH1A1GPBAR1
SCHEMBL21139100 0.78 KDM4E (0.32) ALDH1A1KDM4ECYP1A2MAPTALOX15
SCHEMBL10264977 0.78 HTT (0.33) PIK3CDALDH1A1KDM4ECYP1A2MAPT
SCHEMBL31445203 0.78 AGBL2 (0.38) ALDH1A1GPBAR1SMN1; SMN2AGBL2

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 PIK3CD 1012/4885ALDH1A1 894/4885GPBAR1 3496/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PIK3CD 1012/4885ALDH1A1 894/4885GPBAR1 3496/4885

“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.