SCHEMBL2528834

SCHEMBL2528834

CCOc1ccc(CC(=O)Oc2ccc(C(O)CNCC(=O)OC(C)(C)C)cc2)cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
ADRB3 P13945 4/20 0.36
ADRB1 P08588 2/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.35
HIF1A Q16665 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A1 O15245 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL2525521 0.89 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2CYP2C9
SCHEMBL2526965 0.89 LMNA (0.47) PPARGPPARAALDH1A1MAPTCYP2C9
SCHEMBL2526478 0.84 PPARG (0.38) PPARGPPARAADRB3L3MBTL1KDM4E
SCHEMBL2528091 0.84 ALDH1A1 (0.38) PPARGPPARAALDH1A1ADRB3ADRB1
SCHEMBL2527110 0.83 ALOX15 (0.45) PPARGPPARAALDH1A1CYP1A2LMNA
SCHEMBL2523411 0.83 ALOX15 (0.45) PPARGPPARAALDH1A1CYP1A2CYP2C19
SCHEMBL2530357 0.83 PLA2G1B (0.42) PPARGPPARAKMT2APOLBADRB3
SCHEMBL2525539 0.83 ADRB3 (0.43) PPARGPPARAKMT2AADRB3KDM4E
SCHEMBL2528949 0.83 L3MBTL1 (0.42) PPARGPPARAALDH1A1MAPTKMT2A
SCHEMBL2527546 0.83 TDP1 (0.47) PPARGPPARAALDH1A1MAPTKMT2A

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 PPARG 1096/4885PPARA 381/4885ALDH1A1 3248/4885

“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.