SCHEMBL2529626

SCHEMBL2529626

CN(CC(O)c1ccc(OC(=O)Cc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
CYP19A1 P11511 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
BACE1 P56817 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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) KMT2APPARGPPARAL3MBTL1ATM
SCHEMBL2527548 0.90 KMT2A (0.46) KMT2APPARGPPARAL3MBTL1ATM
SCHEMBL2527448 0.90 KMT2A (0.41) KMT2APPARGPPARASMN1; SMN2KDM4E
SCHEMBL2531907 0.89 TAAR1 (0.42) PPARGPPARABACE1L3MBTL1
SCHEMBL2530998 0.89 KMT2A (0.49) KMT2AHPGDBACE1ADRB3TDP1
SCHEMBL2526376 0.89 KMT2A (0.46) KMT2APPARGPPARAL3MBTL1ATM
SCHEMBL2526417 0.89 KMT2A (0.46) KMT2APPARGPPARAMEN1TSHR
SCHEMBL2530995 0.89 PPARG (0.39) KMT2APPARGPPARASMN1; SMN2MEN1
SCHEMBL2529210 0.89 KMT2A (0.40) KMT2APPARGPPARAMEN1L3MBTL1
SCHEMBL2527784 0.88 PPARG (0.43) KMT2APPARGPPARAADRB3TSHR

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 2317/4885HPGD 1523/4885CYP19A1 3348/4885

“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.