SCHEMBL22043391

SCHEMBL22043391

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 5/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GAA P10253 2/20 0.38
AGER Q15109 1/20 0.38
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL21718975 0.86 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22043398 0.82 AGER (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22043402 0.82 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22043390 0.82 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22140260 0.79 CRHR1 (0.38) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL22043396 0.79 MAOB (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22043313 0.78 HRH3 (0.35) MAOAKDM4E
SCHEMBL22043395 0.77 CA12 (0.39) ALDH1A1CA12CA1CA9CA2
SCHEMBL22043385 0.77 L3MBTL1 (0.38) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL21736912 0.74 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 ALDH1A1 525/4885MAPT 4211/4885MEN1 1439/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885MAPT 4211/4885MEN1 1439/4885

“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.