SCHEMBL22043395

SCHEMBL22043395

C#CCOc1ccc(C(C)(C)CC)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.39
CA4 P22748 6/20 0.39
CA9 Q16790 6/20 0.39
CA1 P00915 2/20 0.39
GSTP1 P09211 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
MAOB P27338 11/20 0.38
MAOA P21397 8/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL21718842 0.86 CA12 (0.41) CA12CA4CA9CA1GSTP1
SCHEMBL22043385 0.85 L3MBTL1 (0.38) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL22043302 0.82 GSTP1 (0.39) CA12CA4CA9CA1GSTP1
SCHEMBL22043400 0.80 GSTP1 (0.37) CA12CA4CA9CA1GSTP1
SCHEMBL22140260 0.79 CRHR1 (0.38) CA12CA9CA1CA2CA7
SCHEMBL22043313 0.78 HRH3 (0.35) MAOBMAOAKDM4E
SCHEMBL22043391 0.77 ALDH1A1 (0.41) CA12CA9CA1CA2CA7
SCHEMBL13498453 0.73 MAOB (0.44) CA12CA4CA9CA1GSTP1
SCHEMBL22140426 0.73 MAOB (0.43) CA12CA4CA9CA1GSTP1
SCHEMBL21718983 0.72 KDM4E (0.47) CA12CA4CA9CA1GSTP1

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 CA12 4431/4885CA4 1355/4885CA9 2865/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CA12 4431/4885CA4 1355/4885CA9 2865/4885

“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.