SCHEMBL19633175

SCHEMBL19633175

C=CCOC(=O)[C@@H](Cc1ccccc1)Oc1ccccc1CO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
PPARG P37231 8/20 0.45
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
SRR Q9GZT4 2/20 0.38
BCL2L2 Q92843 1/20 0.38
CASP1 P29466 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL19632750 1.00 PPARA (0.45) PPARAPPARGALDH1A1CYP3A4SRR
SCHEMBL19633026 0.82 PPARA (0.45) PPARAPPARGALDH1A1CYP3A4SRR
SCHEMBL19632645 0.82 CYP3A4 (0.39) ALDH1A1CYP3A4CASP1KDM4E
SCHEMBL19633142 0.82 CYP3A4 (0.39) ALDH1A1CYP3A4CASP1KDM4E
SCHEMBL19632619 0.82 PPARA (0.45) PPARAPPARGALDH1A1CYP3A4SRR
SCHEMBL19633174 0.81 PPARG (0.67) PPARAPPARG
SCHEMBL19633053 0.81 PPARG (0.67) PPARAPPARG
SCHEMBL19632747 0.80 PPARG (0.51) PPARAPPARG
SCHEMBL19632749 0.80 PPARG (0.51) PPARAPPARG
SCHEMBL19633140 0.80 PPARG (0.51) PPARAPPARG

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-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 US disclosed
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 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 (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-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 PPARA 157/4885PPARG 35/4885ALDH1A1 3152/4885

“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.