SCHEMBL3764501

SCHEMBL3764501

CCCCC/C=C/COc1cccc(NC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
PPARA Q07869 3/20 0.46
APP P05067 1/20 0.45
THRB P10828 1/20 0.41
EPHX2 P34913 3/20 0.40
FAAH O00519 3/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL3663177 1.00 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARAAPPTHRB
SCHEMBL3770949 0.96 APP (0.46) CYSLTR2CYSLTR1PPARAAPPTHRB
SCHEMBL3659366 0.96 APP (0.46) CYSLTR2CYSLTR1PPARAAPPTHRB
SCHEMBL3771342 0.90 APP (0.48) CYSLTR2CYSLTR1PPARAAPPTHRB
SCHEMBL3654739 0.90 APP (0.48) CYSLTR2CYSLTR1PPARAAPPTHRB
SCHEMBL28362683 0.89 TSHR (0.52) PPARAAPPTHRBEPHX2FAAH
SCHEMBL28362681 0.89 TSHR (0.52) PPARAAPPTHRBEPHX2FAAH
Hydrochloric Acid SCHEMBL28362704 0.88 TSHR (0.51) PPARAAPPTHRBEPHX2FAAH
Hydrochloric Acid SCHEMBL28362695 0.88 TSHR (0.51) PPARAAPPTHRBEPHX2FAAH
SCHEMBL3764362 0.84 THRB (0.48) PPARAAPPTHRBFAAHTSHR

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 CYSLTR2 2358/4885CYSLTR1 2654/4885PPARA 1791/4885

“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.