SCHEMBL21720154

SCHEMBL21720154

CCCCC(C)(C)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
FBP1 P09467 1/20 0.34
ALOX5 P09917 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLA2G4A P47712 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL25854596 0.93 CNR2 (0.36) L3MBTL1FBP1ALOX5PLA2G4A
SCHEMBL21191566 0.93 CNR2 (0.36) L3MBTL1FBP1ALOX5PLA2G4A
SCHEMBL21236276 0.89 ALOX5 (0.36) L3MBTL1FBP1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL22023844 0.85 L3MBTL1 (0.36) L3MBTL1FBP1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL25039003 0.82 L3MBTL1 (0.34) L3MBTL1FBP1ALOX5SMN1; SMN2
SCHEMBL7267687 0.82 L3MBTL1 (0.37) L3MBTL1FBP1ALOX5SMN1; SMN2ALDH1A1
SCHEMBL22023895 0.82 L3MBTL1 (0.34) L3MBTL1FBP1ALOX5SMN1; SMN2PLA2G4A
SCHEMBL21884186 0.81 PLA2G4A (0.34) L3MBTL1FBP1ALOX5PLA2G4A
SCHEMBL12243140 0.80 FBP1 (0.38) FBP1ALOX5ALDH1A1TSHRNOS1
SCHEMBL20887934 0.79 PLA2G4A (0.35) L3MBTL1FBP1ALOX5SMN1; SMN2PLA2G4A

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 2 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-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 L3MBTL1 3199/4885FBP1 115/4885ALOX5 335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK L3MBTL1 3199/4885FBP1 115/4885ALOX5 335/4885

“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.