SCHEMBL2529249

SCHEMBL2529249

CC(C)CC(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
ELANE P08246 2/20 0.36
BCHE P06276 1/20 0.35
ESR1 P03372 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR88 Q9GZN0 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
SCHEMBL2529281 0.88 ESR1 (0.49) AOC3ELANEBCHEESR1HIF1A
SCHEMBL2532007 0.86 BCL9 (0.41) AOC3ELANEBCHEESR1HIF1A
SCHEMBL2529628 0.85 ELANE (0.42) AOC3ELANEBCHEGPR88
SCHEMBL2525142 0.85 AOC3 (0.40) AOC3ELANEBCHEESR1HIF1A
SCHEMBL2527784 0.85 PPARG (0.43) ESR1
SCHEMBL2527448 0.84 KMT2A (0.41) AOC3ELANE
SCHEMBL2532586 0.84 ELANE (0.55) AOC3ELANEBCHEHIF1AALDH1A1
SCHEMBL2529496 0.84 KMT2A (0.37) AOC3ELANEBCHEESR1HIF1A
SCHEMBL2529626 0.83 KMT2A (0.40)
SCHEMBL2525190 0.83 KMT2A (0.41) AOC3ESR1HIF1AGPR88

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 2105/4885ELANE 270/4885BCHE 962/4885

“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.