SCHEMBL2527784

SCHEMBL2527784

CC(C)Cc1ccc(CC(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PTGS2 P35354 4/20 0.40
FAAH O00519 1/20 0.38
PTGS1 P23219 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
NR1I3 Q14994 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CXCL8 P10145 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
SCHEMBL2527448 0.92 KMT2A (0.41) PPARGPPARAKMT2A
SCHEMBL2528951 0.89 L3MBTL1 (0.42) PPARGPPARAKMT2A
SCHEMBL2527548 0.89 KMT2A (0.46) PPARGPPARAKMT2A
SCHEMBL2529210 0.88 KMT2A (0.40) PPARGPPARAKMT2A
SCHEMBL2526376 0.88 KMT2A (0.46) PPARGPPARAKMT2A
SCHEMBL2530995 0.88 PPARG (0.39) PPARGPPARALMNAKMT2A
SCHEMBL2526417 0.88 KMT2A (0.46) PPARGPPARATSHRKMT2A
SCHEMBL2529626 0.88 KMT2A (0.40) PPARGPPARAADRB3TSHRKMT2A
SCHEMBL2525540 0.88 PPARG (0.41) PPARGPPARAESR1ADRB3KMT2A
SCHEMBL2525523 0.88 PPARG (0.43) PPARGPPARALMNAESR1KMT2A

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 381/4885PTGS2 132/4885

“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.