SCHEMBL22140397

SCHEMBL22140397

CCC(C)(C)c1c(C)cccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
SCN8A Q9UQD0 1/20 0.35
P2RX7 Q99572 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AXL P30530 1/20 0.33
CTSS P25774 1/20 0.32
AR P10275 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 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
SCHEMBL16355401 0.80 GABRA1 (0.47) HSD11B1GABRA1GABRB2SCN8AP2RX7
SCHEMBL22140226 0.80 HSD11B1 (0.36) HSD11B1P2RX7L3MBTL1ATMAXL
SCHEMBL6629394 0.80 HSD11B1 (0.47) HSD11B1GABRA1GABRB2SCN8AP2RX7
Ammonia Solution, Strong SCHEMBL28346616 0.78 HSD11B1 (0.46) HSD11B1GABRA1GABRB2SCN8AP2RX7
SCHEMBL17552748 0.77 ACHE (0.43) GABRA1GABRB2SCN8AALDH1A1GAA
SCHEMBL22140407 0.76 AR (0.44) CTSSAR
SCHEMBL23600578 0.76 P2RX7 (0.47) P2RX7CTSS
SCHEMBL6101176 0.75 IDO1 (0.33) HSD11B1SMN1; SMN2
SCHEMBL218113 0.74 IDO1 (0.39) HSD11B1TDP1L3MBTL1ALDH1A1GAA
SCHEMBL780023 0.73 CA2 (0.37) GABRA1GABRB2TDP1ALDH1A1ATM

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP HSD11B1 496/4885GABRA1 1944/4885GABRB2 2725/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP HSD11B1 496/4885GABRA1 1944/4885GABRB2 2725/4885

“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.