SCHEMBL2529932

SCHEMBL2529932

Cc1cc(C)c(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 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
AOC3 Q16853 1/20 0.33
BCHE P06276 2/20 0.32
ELANE P08246 1/20 0.32
BACE1 P56817 3/20 0.32
ESR1 P03372 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 2/20 0.31
ADRB2 P07550 1/20 0.31
ACHE P22303 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PDK2 Q15119 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
SCHEMBL2528244 0.89 L3MBTL1 (0.38) L3MBTL1AOC3BCHEELANEBACE1
SCHEMBL2529783 0.87 L3MBTL1 (0.35) L3MBTL1AOC3BCHEELANEBACE1
SCHEMBL2528951 0.85 L3MBTL1 (0.42) L3MBTL1AOC3ELANEPPARGPPARA
SCHEMBL2528452 0.85 AOC3 (0.34) AOC3BCHEELANECYP2D6ADRB2
SCHEMBL2531907 0.84 TAAR1 (0.42) L3MBTL1BACE1PPARGPPARA
SCHEMBL2526481 0.84 L3MBTL1 (0.38) L3MBTL1AOC3BCHEELANEBACE1
SCHEMBL2529934 0.84 BACE1 (0.33) BACE1
SCHEMBL2529156 0.83 MAPK1 (0.38) AOC3ELANEBACE1
SCHEMBL2529281 0.82 ESR1 (0.49) AOC3BCHEELANEESR1HIF1A
SCHEMBL2529626 0.82 KMT2A (0.40) L3MBTL1BACE1ADRB2PPARGPPARA

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 4486/4885AOC3 2105/4885BCHE 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.