SCHEMBL2529210

SCHEMBL2529210

CN(CC(O)c1ccc(OC(=O)Cc2ccc(Br)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
AOC3 Q16853 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 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
SCHEMBL2528951 0.90 L3MBTL1 (0.42) KMT2APPARGPPARAL3MBTL1AOC3
SCHEMBL2527448 0.90 KMT2A (0.41) KMT2AMEN1PPARGPPARAL3MBTL1
SCHEMBL2527548 0.90 KMT2A (0.46) KMT2APPARGPPARAALDH1A1L3MBTL1
SCHEMBL2530995 0.89 PPARG (0.39) KMT2AMEN1PPARGPPARAL3MBTL1
SCHEMBL2526376 0.89 KMT2A (0.46) KMT2APPARGPPARAL3MBTL1AOC3
SCHEMBL2526417 0.89 KMT2A (0.46) KMT2AMEN1PPARGPPARAL3MBTL1
SCHEMBL2529626 0.89 KMT2A (0.40) KMT2AMEN1PPARGPPARAL3MBTL1
SCHEMBL2525540 0.88 PPARG (0.41) KMT2APPARGPPARAL3MBTL1AOC3
SCHEMBL2527784 0.88 PPARG (0.43) KMT2APPARGPPARA
SCHEMBL2525523 0.88 PPARG (0.43) KMT2APPARGPPARAALDH1A1LTB4R

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 2317/4885MEN1 1126/4885PPARG 1096/4885

“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.