SCHEMBL2527809

SCHEMBL2527809

COc1ccc(C(OC)C(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 2/20 0.33
ADRB3 P13945 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2528612 0.93 BACE1 (0.39) AOC3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2525566 0.91 AOC3 (0.46) AOC3BCHEBACE1L3MBTL1
SCHEMBL2526825 0.88 AOC3 (0.46) AOC3ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL2529628 0.84 ELANE (0.42) AOC3CYP2D6ELANEBCHEBACE1
SCHEMBL2527548 0.83 KMT2A (0.46) AOC3ALDH1A1KMT2AL3MBTL1
SCHEMBL2528096 0.82 BACE1 (0.38) AOC3MEN1KMT2ABACE1L3MBTL1
SCHEMBL2525142 0.81 AOC3 (0.40) AOC3HSD17B10SLC6A3CYP2D6ELANE
SCHEMBL2529791 0.81 BACE1 (0.38) AOC3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2526823 0.81 AOC3 (0.43) AOC3ALDH1A1KMT2AL3MBTL1
SCHEMBL2528484 0.80 AOC3 (0.42) AOC3ALDH1A1NPSR1SLC6A2SLC6A4

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-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 AOC3 2105/4885ALDH1A1 3248/4885HSD17B10 1710/4885

“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.