SCHEMBL2531906

SCHEMBL2531906

Cc1cccc(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOB P27338 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
SCHEMBL2527517 0.90 LMNA (0.44) ADRB3
SCHEMBL2525773 0.90 GPR119 (0.42) ADRB3PPARGPPARAFFAR1MAOB
SCHEMBL2528740 0.90 CYP1A2 (0.38) ADRB3PPARGPPARAMAPTGAA
SCHEMBL2527514 0.90 PDGFRB (0.41) ADRB3GAAKDM4ESMN1; SMN2TDP1
SCHEMBL2529623 0.89 ADRB3 (0.45) ADRB3PPARGPPARAGAAKDM4E
SCHEMBL2528949 0.89 L3MBTL1 (0.42) ADRB3PPARGPPARAMAPTL3MBTL1
SCHEMBL2526470 0.88 MEN1 (0.42) MAPTMAOB
SCHEMBL2526478 0.88 PPARG (0.38) ADRB3PPARGPPARAL3MBTL1GAA
SCHEMBL2533454 0.88 VNN1 (0.43) ADRB3
SCHEMBL2530860 0.87 FFAR1 (0.39) ADRB3MAPTL3MBTL1SMN1; SMN2FFAR1

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 ADRB3 557/4885PPARG 1096/4885PPARA 381/4885

“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.