SCHEMBL21721753

SCHEMBL21721753

CCCCCCCC(C)(CCCCC)n1nc(F)c(F)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
GGPS1 O95749 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
SCHEMBL21721602 0.90
SCHEMBL21721484 0.88
SCHEMBL21721748 0.88
SCHEMBL21721749 0.88 GGPS1 (0.30) GGPS1
SCHEMBL21720438 0.85 CNR2 (0.30)
SCHEMBL21721505 0.81 SMPD1 (0.32) TSHRTHRBGGPS1
SCHEMBL21721515 0.81 GGPS1 (0.34) TSHRTHRBGGPS1
SCHEMBL21721758 0.81 SQOR (0.33) TSHRTHRBGGPS1
SCHEMBL21721488 0.75 GGPS1 (0.31) GGPS1
SCHEMBL21849163 0.72 FDPS (0.34) TSHRTHRBGGPS1

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 CES2 2171/4885LPAR1 3115/4885LPAR3 3690/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CES2 2171/4885LPAR1 3115/4885LPAR3 3690/4885

“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.