SCHEMBL2529281

SCHEMBL2529281

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
HIF1A Q16665 2/20 0.49
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 3/20 0.39
AOC3 Q16853 1/20 0.39
BCHE P06276 4/20 0.37
GPR88 Q9GZN0 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.34
ACHE P22303 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
SCHEMBL2532007 0.90 BCL9 (0.41) ESR1HIF1AKMT2AELANEAOC3
SCHEMBL2529496 0.88 KMT2A (0.37) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL2529249 0.88 AOC3 (0.37) ESR1HIF1AELANEAOC3BCHE
SCHEMBL2525190 0.87 KMT2A (0.41) ESR1HIF1AKMT2ASMN1; SMN2AOC3
SCHEMBL2525142 0.87 AOC3 (0.40) ESR1HIF1AELANEAOC3BCHE
SCHEMBL2529208 0.86 KMT2A (0.43) ESR1KMT2ASMN1; SMN2RAB9A
SCHEMBL2532586 0.86 ELANE (0.55) HIF1AELANEAOC3BCHE
SCHEMBL2529628 0.85 ELANE (0.42) ELANEAOC3BCHEGPR88RAB9A
SCHEMBL2529626 0.85 KMT2A (0.40) KMT2ASMN1; SMN2MEN1
SCHEMBL2525540 0.84 PPARG (0.41) ESR1HIF1AKMT2ASMN1; SMN2AOC3

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 ESR1 3542/4885HIF1A 1797/4885KMT2A 2317/4885

“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.