SCHEMBL21719006

SCHEMBL21719006

C=CCOc1ccc(C(C)(C)C)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
AGER Q15109 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
MAOA P21397 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 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
SCHEMBL22043402 0.86 MAPT (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21719010 0.82 ALDH1A1 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL472108 0.82 MAPT (0.43) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21718991 0.81 AGER (0.43) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21718995 0.81 MAPT (0.42) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21718975 0.81 MAPT (0.42) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL21718419 0.80 NQO1 (0.46) MAPTMEN1KMT2ACA12CA1
SCHEMBL22140233 0.79 ALDH1A1 (0.52) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9638077 0.77 ALDH1A1 (0.50) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL30331506 0.77 ALDH1A1 (0.50) MAPTMEN1LMNAKMT2ASMN1; 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 6 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-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-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-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
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 (6 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 MAPT 4211/4885MEN1 1439/4885LMNA 3904/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP MAPT 2876/4885MEN1 317/4885LMNA 2399/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK MAPT 3100/4885MEN1 511/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK MAPT 3100/4885MEN1 511/4885LMNA 2672/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 MAPT 4211/4885MEN1 1439/4885LMNA 3904/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP MAPT 2876/4885MEN1 317/4885LMNA 2399/4885

“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.