SCHEMBL2528474

SCHEMBL2528474

CN(CC(O)c1ccc(OC(=O)c2cccc(F)c2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AURKA O14965 5/20 0.37
RPS6KB1 P23443 5/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 1/20 0.35
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
AOC3 Q16853 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL2527542 0.92 KMT2A (0.46) KMT2AALDH1A1POLBMAPTHPGD
SCHEMBL2529323 0.92 AOC3 (0.34) KMT2AALDH1A1AURKARPS6KB1POLB
SCHEMBL2531062 0.89 AURKA (0.38) KMT2AAURKARPS6KB1MAPTRIPK1
SCHEMBL2532601 0.87 AURKA (0.33) AURKARPS6KB1POLBMAPTBACE1
SCHEMBL2533379 0.85 AOC3 (0.34) KMT2AAURKARPS6KB1RIPK1MEN1
SCHEMBL2526900 0.84 AOC3 (0.36) KMT2AAURKARPS6KB1GPR88AOC3
SCHEMBL2525569 0.84 BACE1 (0.47) KMT2AALDH1A1AURKARPS6KB1POLB
SCHEMBL2526962 0.84 HIF1A (0.40) ALDH1A1AURKARPS6KB1POLBMAPT
SCHEMBL2531040 0.83 AOC3 (0.34) AURKARPS6KB1GPR88AOC3BCHE
SCHEMBL2526443 0.83 HPGD (0.38) KMT2AALDH1A1MAPTHPGDXBP1

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 KMT2A 2317/4885ALDH1A1 3248/4885AURKA 2197/4885

“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.