SCHEMBL21718944

SCHEMBL21718944

C#CCOc1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
MAOB P27338 10/20 0.41
MAOA P21397 7/20 0.41
CA12 O43570 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.39
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KAT6A Q92794 1/20 0.38

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
SCHEMBL21718907 0.84 L3MBTL1 (0.40) KDM4EALDH1A1GLAGAATSHR
SCHEMBL21718983 0.82 KDM4E (0.47) GSTP1MAOBMAOACA12CA4
SCHEMBL21718842 0.81 CA12 (0.41) GSTP1MAOBMAOACA12CA4
SCHEMBL21718847 0.81 GSTP1 (0.41) GSTP1MAOBMAOACA12CA4
SCHEMBL21719078 0.81 GSTP1 (0.41) GSTP1MAOBMAOACA12CA4
SCHEMBL18120375 0.80 NQO1 (0.46) CA12CA4CA9CA1KDM4E
SCHEMBL19532869 0.80 KIF11 (0.36) MAOBMAOAALDH1A1
SCHEMBL22140426 0.79 MAOB (0.43) GSTP1MAOBMAOACA12CA4
SCHEMBL18761828 0.79 GSTP1 (0.49) GSTP1MAOBMAOACA12CA4
SCHEMBL21718857 0.78 GSTP1 (0.40) GSTP1MAOBMAOACA12CA4

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 GSTP1 791/4885MAOB 241/4885MAOA 262/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP GSTP1 1700/4885MAOB 192/4885MAOA 214/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GSTP1 1340/4885MAOB 357/4885MAOA 372/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GSTP1 1340/4885MAOB 357/4885MAOA 372/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GSTP1 791/4885MAOB 241/4885MAOA 262/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP GSTP1 1700/4885MAOB 192/4885MAOA 214/4885

“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.