SCHEMBL21708154

SCHEMBL21708154

C#CCOc1c[c]c(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
MAOB P27338 14/20 0.43
MAOA P21397 9/20 0.43
ACHE P22303 1/20 0.41
CA12 O43570 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL21708133 0.83 GAA (0.35) KDM4EALDH1A1GLAGAATSHR
SCHEMBL7772435 0.80 NQO1 (0.52) CA12CA9CA1CA2CA7
SCHEMBL16395475 0.79 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12
SCHEMBL3843850 0.77 GSTP1 (0.47) GSTP1MAOBMAOAACHECA12
SCHEMBL27660861 0.77 LTA4H (0.44) CA12CA9CA1CA2CA7
SCHEMBL16395352 0.75 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12
SCHEMBL21708160 0.75 NQO1 (0.32)
SCHEMBL16395304 0.75 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12
SCHEMBL21708116 0.74 KDM4E (0.38) MAOAKDM4EALDH1A1
SCHEMBL457684 0.74 CA1 (0.42) ACHECA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP 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-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-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.