SCHEMBL22043313

SCHEMBL22043313

CCC(C)(C)c1ccc(OCCOC)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.35
MAOB P27338 8/20 0.35
FBP1 P09467 1/20 0.34
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
SCHEMBL21718856 0.86 FBP1 (0.36) MAOBFBP1KDM4ERECQLMAOA
SCHEMBL22140260 0.84 CRHR1 (0.38) MAOBCYP1A2
SCHEMBL22043311 0.83 PDIA6 (0.39) HRH3MAOBKDM4ERECQLMAOA
SCHEMBL22043059 0.82 HRH3 (0.35) HRH3MAOBKDM4ERECQLMAOA
SCHEMBL22043312 0.78 AR (0.39) HRH3MAOBMAOA
SCHEMBL22043391 0.78 ALDH1A1 (0.41) KDM4EMAOA
SCHEMBL22043395 0.78 CA12 (0.39) MAOBKDM4EMAOA
SCHEMBL22043385 0.78 L3MBTL1 (0.38) MAOBKDM4EMAOA
SCHEMBL19501921 0.76 PDIA6 (0.42) HRH3MAOBMAPK1
SCHEMBL19501619 0.74 L3MBTL1 (0.44) HRH3MAOBKDM4E

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 241/4885FBP1 239/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 HRH3 564/4885MAOB 241/4885FBP1 239/4885

“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.