SCHEMBL2528244

SCHEMBL2528244

Cc1ccc(CC(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
SIRT5 Q9NXA8 1/20 0.33
AOC3 Q16853 1/20 0.33
BCHE P06276 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
GAA P10253 1/20 0.32
ELANE P08246 1/20 0.32
BACE1 P56817 3/20 0.31
NPC1 O15118 1/20 0.31
ESR1 P03372 1/20 0.31
HIF1A Q16665 1/20 0.31
IGF1R P08069 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
SCHEMBL2529783 0.92 L3MBTL1 (0.35) L3MBTL1AOC3BCHETDP1GAA
SCHEMBL2529932 0.89 L3MBTL1 (0.36) L3MBTL1AOC3BCHEELANEBACE1
SCHEMBL2528951 0.86 L3MBTL1 (0.42) L3MBTL1AOC3TDP1ELANE
SCHEMBL2529691 0.84 ALDH1A1 (0.41) L3MBTL1AOC3TDP1GAA
SCHEMBL2527806 0.84 MEN1 (0.40) L3MBTL1AOC3TDP1GAA
SCHEMBL2526481 0.84 L3MBTL1 (0.38) L3MBTL1AOC3BCHETDP1ELANE
SCHEMBL2531907 0.84 TAAR1 (0.42) L3MBTL1GAABACE1
SCHEMBL2529934 0.83 BACE1 (0.33) BACE1
SCHEMBL2532057 0.82 CA2 (0.40) L3MBTL1SIRT5AOC3BCHETDP1
SCHEMBL2525471 0.82 ALDH1A1 (0.38) L3MBTL1SIRT5AOC3TDP1BACE1

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 L3MBTL1 4486/4885SIRT5 181/4885AOC3 2105/4885

“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.