SCHEMBL3764504

SCHEMBL3764504

CCCCCC=CCOc1cccc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.55
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
PPARG P37231 2/20 0.46
EPHX2 P34913 3/20 0.46
FAAH O00519 2/20 0.46
PTGIR P43119 1/20 0.45
TSHR P16473 1/20 0.42
AOC3 Q16853 1/20 0.41
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL3770953 0.96 PPARA (0.50) PPARACYSLTR2CYSLTR1PPARGEPHX2
SCHEMBL3771346 0.90 AOC3 (0.44) PPARACYSLTR2CYSLTR1PPARGAOC3
SCHEMBL3764368 0.84 PPARA (0.50) PPARAPPARGTSHRMAOBDHFR
SCHEMBL3769194 0.84 AOC3 (0.46) AOC3MAOBNOS1NOS2
SCHEMBL3770838 0.83 PPARA (0.48) PPARATSHRMAOBDHFR
SCHEMBL17138155 0.82 CYSLTR2 (0.50) PPARACYSLTR2CYSLTR1PPARGEPHX2
SCHEMBL17138154 0.82 CYSLTR2 (0.50) PPARACYSLTR2CYSLTR1PPARGEPHX2
SCHEMBL3769700 0.82 PPARA (0.47) PPARAEPHX2FAAHTSHRMAOB
SCHEMBL6529839 0.81 TSHR (0.63) TSHRDHFR
SCHEMBL3660582 0.80 PPARA (0.45) PPARAEPHX2FAAHTSHRMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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 (1 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 PPARA 1791/4885CYSLTR2 2358/4885CYSLTR1 2654/4885

“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.