SCHEMBL2529323

SCHEMBL2529323

CN(CC(O)c1ccc(OC(=O)c2ccc(F)c(F)c2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
AURKA O14965 3/20 0.34
RPS6KB1 P23443 3/20 0.34
BCHE P06276 1/20 0.33
ELANE P08246 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
GPR88 Q9GZN0 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2528474 0.92 KMT2A (0.37) AOC3AURKARPS6KB1BCHECES2
SCHEMBL2532601 0.91 AURKA (0.33) AOC3AURKARPS6KB1BCHEELANE
SCHEMBL2533379 0.89 AOC3 (0.34) AOC3AURKARPS6KB1BCHEELANE
SCHEMBL2526962 0.88 HIF1A (0.40) AOC3AURKARPS6KB1ALDH1A1GAA
SCHEMBL2527542 0.87 KMT2A (0.46) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL2531959 0.86 AAK1 (0.37) AURKARPS6KB1KMT2AMEN1POLB
SCHEMBL2526900 0.86 AOC3 (0.36) AOC3AURKARPS6KB1BCHEELANE
SCHEMBL2531040 0.85 AOC3 (0.34) AOC3AURKARPS6KB1BCHEELANE
SCHEMBL2532849 0.85 RXRA (0.41) PDK2
SCHEMBL2528205 0.84 AURKA (0.39) AOC3AURKARPS6KB1ELANECES2

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 2105/4885AURKA 2197/4885RPS6KB1 1424/4885

“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.