SCHEMBL2529623

SCHEMBL2529623

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.45
ALOX15 P16050 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP19A1 P11511 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2528949 0.90 L3MBTL1 (0.42) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2527446 0.90 PPARG (0.42) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2527546 0.90 TDP1 (0.47) ADRB3PPARGPPARAKDM4EGAA
SCHEMBL2531906 0.89 ADRB3 (0.38) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2529206 0.89 PPARG (0.41) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2526373 0.89 KMT2A (0.49) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2530994 0.89 PPARG (0.41) ADRB3ALOX15PPARGPPARAKDM4E
SCHEMBL2526415 0.89 KMT2A (0.49) ADRB3ALOX15PPARGPPARAADRB1
SCHEMBL2530996 0.89 KMT2A (0.49) ADRB3ALOX15KDM4EGAASMN1; SMN2
SCHEMBL2527783 0.88 PPARG (0.45) ADRB3ALOX15PPARGPPARA

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 557/4885ALOX15 469/4885PPARG 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.