SCHEMBL22043059

SCHEMBL22043059

CCC(C)(C)c1ccc(OCCOC)cc1I

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.35
MAOB P27338 8/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 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
SCHEMBL22043380 0.86 NPC1 (0.32) MAPK1
SCHEMBL21718422 0.86 MAOA (0.36) KDM4ERECQLMAOADYRK1ACYP1A2
SCHEMBL22043136 0.84 NQO1 (0.43) KDM4ECYP1A2MAPK1
SCHEMBL22043311 0.83 PDIA6 (0.39) HRH3MAOBKDM4ERECQLMAOA
SCHEMBL22043313 0.82 HRH3 (0.35) HRH3MAOBKDM4ERECQLMAOA
SCHEMBL22043312 0.78 AR (0.39) HRH3MAOBMAOA
SCHEMBL22043302 0.78 GSTP1 (0.39) MAOBKDM4EMAOA
SCHEMBL22043402 0.78 MAPT (0.39) KDM4EMAOACYP2D6
SCHEMBL22043310 0.78 L3MBTL1 (0.38) KDM4E
SCHEMBL19501921 0.76 PDIA6 (0.42) HRH3MAOBMAPK1

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 HRH3 564/4885MAOB 241/4885KDM4E 902/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 HRH3 564/4885MAOB 241/4885KDM4E 902/4885

“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.