SCHEMBL21718975

SCHEMBL21718975

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.40
AGER Q15109 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
MAOA P21397 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL22043391 0.86 ALDH1A1 (0.41) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22140233 0.83 ALDH1A1 (0.52) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL472108 0.82 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21719010 0.82 ALDH1A1 (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21718995 0.81 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21718991 0.81 AGER (0.43) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21719006 0.81 MAPT (0.42) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL15200215 0.80 NQO1 (0.46) MAPTMEN1KMT2ACA12CA1
SCHEMBL21736912 0.78 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2198665 0.78 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (4 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP MAPT 2876/4885MEN1 317/4885KMT2A 1380/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MAPT 3100/4885MEN1 511/4885KMT2A 1335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAPT 3100/4885MEN1 511/4885KMT2A 1335/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP MAPT 2876/4885MEN1 317/4885KMT2A 1380/4885

“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.