SCHEMBL21720007

SCHEMBL21720007

CCCCCCCC(C)(CCCC)n1ccnc1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CNR2 P34972 7/20 0.32
CNR1 P21554 4/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACAT1 P24752 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
SCHEMBL21720279 0.80 ALDH1A1 (0.45) TLR8TLR7CNR2CNR1ALDH1A1
SCHEMBL21720016 0.79 TLR8 (0.35) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL21718654 0.79 TLR8 (0.35) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL21720270 0.79 TLR8 (0.35) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL21720029 0.79 TLR8 (0.35) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL18867174 0.75 TLR8 (0.33) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL21720077 0.75 CNR2 (0.34) TLR8CNR2CNR1CYP3A4KDM4E
SCHEMBL21720015 0.75 CNR2 (0.33) CNR2CNR1CYP3A4KDM4ETP53
SCHEMBL21719968 0.74 CNR2 (0.31) CNR2CNR1
SCHEMBL21719992 0.72 CNR2 (0.34) CNR2CNR1CYP3A4KDM4ETP53

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 TLR8 4249/4885TLR7 3709/4885CNR2 2191/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TLR8 4249/4885TLR7 3709/4885CNR2 2191/4885

“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.