SCHEMBL22043312

SCHEMBL22043312

CCC(C)(C)c1ccc(OCCOC)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
PLA2G7 Q13093 2/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
PGR P06401 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL22043304 0.87 MAOB (0.36) ARPLA2G7MAOBMAOAPGR
SCHEMBL21718990 0.87 AR (0.41) ARPLA2G7MAOBMAOAPGR
SCHEMBL22043401 0.85 GLA (0.45) ARMAOBMAOAGLA
SCHEMBL22043061 0.83 L3MBTL1 (0.38) ARPLA2G7MAOBMAOAPGR
SCHEMBL22043400 0.81 GSTP1 (0.37) ARPLA2G7MAOBMAOAGLA
SCHEMBL22043311 0.80 PDIA6 (0.39) MAOBMAOAHRH3
SCHEMBL22043396 0.80 MAOB (0.39) ARMAOBMAOA
SCHEMBL22043313 0.78 HRH3 (0.35) MAOBMAOAHRH3
SCHEMBL22043059 0.78 HRH3 (0.35) MAOBMAOAHRH3
SCHEMBL8251612 0.76 MAOB (0.41) ARMAOBMAOA

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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 AR 2101/4885PLA2G7 3790/4885MAOB 241/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 AR 2101/4885PLA2G7 3790/4885MAOB 241/4885

“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.