SCHEMBL21719574

SCHEMBL21719574

CCCCCCC(C)(CCCCC)c1cn(C)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.35
TLR8 Q9NR97 3/20 0.33
CNR2 P34972 5/20 0.32
CNR1 P21554 4/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 5/20 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
SCHEMBL21718627 0.83 SMPD1 (0.32) SMPD1TLR8CNR2CNR1KDR
SCHEMBL21718615 0.83 TLR8 (0.32) SMPD1TLR8CNR2KDR
SCHEMBL21719996 0.83 SMPD1 (0.32) SMPD1KDR
SCHEMBL21719719 0.83 SMPD1 (0.32) SMPD1KDR
SCHEMBL21719988 0.80 CNR2 (0.32) SMPD1TLR8CNR2CNR1
SCHEMBL21166416 0.76 SMPD1 (0.31) SMPD1
SCHEMBL26850283 0.75 CNR2 (0.33) SMPD1TLR8CNR2CNR1
SCHEMBL26849593 0.75 CNR2 (0.33) SMPD1TLR8CNR2CNR1
SCHEMBL24876789 0.72 KDR (0.34) SMPD1TLR8KMT2AKDR
SCHEMBL21478302 0.72 SMPD1 (0.42) SMPD1CNR2CNR1KDR

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 SMPD1 2950/4885TLR8 4249/4885CNR2 2191/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMPD1 2950/4885TLR8 4249/4885CNR2 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.