SCHEMBL21721253

SCHEMBL21721253

CCCCCCC(C)(CCCCC)c1scc(Br)c1I

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.32
TNNC1 P63316 5/20 0.30
SGPL1 O95470 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
GPR183 P32249 1/20 0.30
CERS2 Q96G23 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
GGPS1 O95749 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
SCHEMBL21721280 0.83 GPR35 (0.33) GPR35TNNC1SGPL1S1PR4S1PR1
SCHEMBL21721296 0.83
SCHEMBL21721220 0.83 SMPD1 (0.31)
SCHEMBL21721286 0.82 GPR35 (0.35) GPR35TNNC1SGPL1S1PR4S1PR1
SCHEMBL21721196 0.81 GPR35 (0.32) GPR35TNNC1SGPL1S1PR4S1PR1
SCHEMBL21721592 0.81 GPR35 (0.32) GPR35TNNC1SGPL1S1PR4S1PR1
SCHEMBL21719961 0.80 CNR2 (0.37)
SCHEMBL21721279 0.78 CNR2 (0.33) GPR35S1PR4S1PR1S1PR3S1PR5
SCHEMBL21721201 0.77 CNR2 (0.32) TNNC1SGPL1S1PR4S1PR1GPR183
SCHEMBL21721267 0.76 ABL1 (0.31)

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 GPR35 3454/4885TNNC1 4816/4885SGPL1 1244/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GPR35 3454/4885TNNC1 4816/4885SGPL1 1244/4885

“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.