SCHEMBL13570133

SCHEMBL13570133

CCCCCCCCCCCCCCCCCc1cccc(OC(=O)NC)c1OC(=O)NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.52
▸ PPARG P37231 2/20 0.52
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX5 P09917 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ BID P55957 3/20 0.45
▸ MCL1 Q07820 3/20 0.45
▸ BCL2L1 Q07817 2/20 0.45
▸ BAK1 Q16611 2/20 0.45
▸ KAT8 Q9H7Z6 2/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ KAT2A Q92830 1/20 0.45
▸ KAT2B Q92831 1/20 0.45
▸ KAT5 Q92993 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ PGR P06401 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL15107300 1.00 PPARA (0.52) PPARAPPARGTHRATHRBALOX5
SCHEMBL11452222 0.86 THRA (0.62) PPARAPPARGTHRATHRBALOX5
SCHEMBL27283180 0.82 PPARA (0.71) PPARAPPARGTHRATHRBALOX5
SCHEMBL467968 0.81 THRA (0.56) PPARAPPARGTHRATHRBALDH1A1
SCHEMBL15556827 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL15549135 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL15558624 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL15548970 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL15549363 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL15548014 0.81 PPARA (0.54) PPARAPPARGTHRATHRBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis THE UNIVERSITY OF MISSISSIPPI 2015-07-23 — — US disclosed
US-9029417-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2015-05-12 — — US disclosed
US-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI 2013-11-14 — — US disclosed
WO-2009146131-A2 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI (US) 2009-12-03 — — WO 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-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH PPARA 2392/4885PPARG 1295/4885THRA 4577/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH PPARA 2392/4885PPARG 1295/4885THRA 4577/4885

“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.

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