SCHEMBL21718941

SCHEMBL21718941

C#CCOc1ccc(C)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 9/20 0.47
MAOA P21397 7/20 0.47
GSTP1 P09211 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
CA12 O43570 6/20 0.43
CA4 P22748 6/20 0.43
CA9 Q16790 6/20 0.43
CA1 P00915 2/20 0.43
ACHE P22303 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KAT6A Q92794 1/20 0.40

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
SCHEMBL18761828 0.83 GSTP1 (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL386377 0.83 KDM4E (0.53) KDM4EALDH1A1GLAGAATSHR
SCHEMBL8432329 0.82 SMN1; SMN2 (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL15747176 0.79 MAOB (0.44) KDM4EALDH1A1GLAGAATSHR
SCHEMBL28397137 0.79 GSTP1 (0.45) KDM4EALDH1A1GLAGAATSHR
SCHEMBL15985610 0.79 KDM4E (0.49) KDM4EALDH1A1GLAGAATSHR
SCHEMBL21718944 0.78 GSTP1 (0.41) KDM4EALDH1A1GLAGAATSHR
SCHEMBL19940357 0.77 KDM4E (0.51) KDM4EALDH1A1GLAGAATSHR
SCHEMBL14220258 0.77 NQO1 (0.52) KDM4EALDH1A1TSHRMRGPRX4
SCHEMBL19541456 0.77 MRGPRX4 (0.48) MAOBMRGPRX4ACHE

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-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
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
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 (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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK KDM4E 595/4885ALDH1A1 894/4885GLA 2041/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK KDM4E 595/4885ALDH1A1 894/4885GLA 2041/4885

“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.