SCHEMBL21721089

SCHEMBL21721089

CCCCCCCC(C)(CCCC)n1nc(C(F)(F)F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.32
ALPI P09923 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ASAH1 Q13510 1/20 0.32
LMNA P02545 1/20 0.31
PDPK1 O15530 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL21719262 0.86 LMNA (0.39) ALPLALPICNR1CNR2ASAH1
SCHEMBL21720887 0.84 ALPL (0.32) ALPLALPIASAH1LMNA
SCHEMBL21720873 0.84 GABRA2 (0.33) ALPLALPIASAH1LMNAPTGS2
SCHEMBL21720883 0.84 ALPL (0.32) ALPLALPICNR2ASAH1LMNA
SCHEMBL21719829 0.84 CNR2 (0.31) CNR2
SCHEMBL21719851 0.82 ASAH1 (0.36) CNR1CNR2ASAH1
SCHEMBL21720939 0.82 KDM4E (0.36) ALPLALPICNR1CNR2ASAH1
SCHEMBL21720977 0.79
SCHEMBL21719119 0.77 ASAH1 (0.37) CNR1CNR2ASAH1
SCHEMBL21721086 0.72 KDM4E (0.36) LMNAPTGS2

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 ALPL 3531/4885ALPI 3984/4885CNR1 1509/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALPL 3531/4885ALPI 3984/4885CNR1 1509/4885

“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.