SCHEMBL2528142

SCHEMBL2528142

CC(C)(C)OC(=O)CNCC(O)c1ccc(OC(=O)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CNR2 P34972 2/20 0.39
ADRB3 P13945 3/20 0.38
KMT2A Q03164 3/20 0.37
OPRK1 P41145 1/20 0.37
ALOX15 P16050 1/20 0.37
UTS2R Q9UKP6 2/20 0.37
MGLL Q99685 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2530994 0.92 PPARG (0.41) PPARGPPARAADRB3KMT2AALOX15
SCHEMBL2530914 0.90 ADRB3 (0.42) PPARGPPARAADRB3KMT2AALOX15
SCHEMBL2526373 0.90 KMT2A (0.49) PPARGPPARAADRB3KMT2AALOX15
SCHEMBL2527446 0.89 PPARG (0.42) PPARGPPARAADRB3KMT2AALOX15
SCHEMBL2527546 0.89 TDP1 (0.47) PPARGPPARACNR2ADRB3KMT2A
SCHEMBL2528949 0.89 L3MBTL1 (0.42) PPARGPPARACNR2ADRB3KMT2A
SCHEMBL2526470 0.88 MEN1 (0.42) KMT2AMEN1
SCHEMBL2526415 0.88 KMT2A (0.49) PPARGPPARACNR2ADRB3KMT2A
SCHEMBL2529206 0.88 PPARG (0.41) PPARGPPARAADRB3KMT2AALOX15
SCHEMBL2529623 0.87 ADRB3 (0.45) PPARGPPARAADRB3KMT2AALOX15

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 381/4885CNR2 93/4885

“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.