SCHEMBL19633238

SCHEMBL19633238

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.39
CYP4A11 Q02928 5/20 0.39
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GAA P10253 1/20 0.34
ANPEP P15144 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 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
SCHEMBL19633025 1.00 CYP4F2 (0.39) CYP4F2CYP4A11PSMB5KDM4ENPC1
SCHEMBL19633024 0.91 TSHR (0.37) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19632746 0.91 TSHR (0.37) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19632675 0.87 PTGS2 (0.36) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19632676 0.87 PTGS2 (0.36) PSMB5KDM4ENPC1RAB9AADRB2
SCHEMBL19633176 0.85 PPARG (0.47) CYP4F2CYP4A11
SCHEMBL19633051 0.85 PPARG (0.47) CYP4F2CYP4A11
SCHEMBL19632621 0.81 SRC (0.39) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL19632879 0.81 SRC (0.39) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL19633171 0.79 PPARG (0.44) PSMB5KDM4EALDH1A1HPGDMAPK1

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 CYP4F2 1066/4885CYP4A11 1381/4885PSMB5 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.