SCHEMBL19633052

SCHEMBL19633052

C=CCOC(=O)[C@@H](CC(C)C)Oc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36
CTSK P43235 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL19633171 1.00 PPARG (0.44) PPARGPPARAPOLBALDH1A1KDM4E
SCHEMBL19633024 0.86 TSHR (0.37) PPARGPPARAALDH1A1KDM4EHTT
SCHEMBL19632746 0.86 TSHR (0.37) PPARGPPARAALDH1A1KDM4EHTT
SCHEMBL19632607 0.84 ALDH1A3 (0.50) PPARGPPARAALDH1A1KDM4EHTT
SCHEMBL19632606 0.84 ALDH1A3 (0.50) PPARGPPARAALDH1A1KDM4EHTT
SCHEMBL19633174 0.81 PPARG (0.67) PPARGPPARA
SCHEMBL19633053 0.81 PPARG (0.67) PPARGPPARA
SCHEMBL19633238 0.79 CYP4F2 (0.39) ALDH1A1KDM4EHTTHPGDMAPK1
SCHEMBL19633025 0.79 CYP4F2 (0.39) ALDH1A1KDM4EHTTHPGDMAPK1
SCHEMBL19632675 0.78 PTGS2 (0.36) PPARGPPARAALDH1A1KDM4EHTT

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 PPARG 35/4885PPARA 157/4885POLB 2158/4885

“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.