SCHEMBL19633024

SCHEMBL19633024

C=CCOC(=O)[C@@H](CC(C)C)Oc1cccc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSMB5 P28074 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
ANPEP P15144 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19632746 1.00 TSHR (0.37) TSHRSMN1; SMN2PSMB5KDM4ENPC1
SCHEMBL19633025 0.91 CYP4F2 (0.39) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19633238 0.91 CYP4F2 (0.39) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19632676 0.89 PTGS2 (0.36) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19632675 0.89 PTGS2 (0.36) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19633171 0.86 PPARG (0.44) PSMB5KDM4EPPARGPPARAALDH1A1
SCHEMBL19633052 0.86 PPARG (0.44) PSMB5KDM4EPPARGPPARAALDH1A1
SCHEMBL19632747 0.84 PPARG (0.51) PPARGPPARA
SCHEMBL19632749 0.84 PPARG (0.51) PPARGPPARA
SCHEMBL19633140 0.84 PPARG (0.51) PPARGPPARA

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 TSHR 803/4885SMN1; SMN2 4050/4885PSMB5 4136/4885

“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.