SCHEMBL2529154

SCHEMBL2529154

CC(C)(C)OC(=O)CNCC(O)c1ccc(OC(=O)Cc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.37
ADRB3 P13945 5/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB2 P07550 1/20 0.35
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2531030 0.89 ADRB3 (0.38) ADRB3SMN1; SMN2KDM4EGAATDP1
SCHEMBL2527517 0.85 LMNA (0.44) ADRB3ADRB1ADRB2LMNA
SCHEMBL2526415 0.84 KMT2A (0.49) ADRB3MAPTKMT2AADRB1
SCHEMBL2529623 0.84 ADRB3 (0.45) ADRB3KMT2ASMN1; SMN2ADRB1ADRB2
SCHEMBL2530357 0.84 PLA2G1B (0.42) OPRK1ADRB3KMT2AADRB1ADRB2
SCHEMBL2529928 0.83 L3MBTL1 (0.36) ADRB3MAPTADRB2LMNAALDH1A1
SCHEMBL2527446 0.83 PPARG (0.42) ADRB3KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL2529688 0.83 ALDH1A1 (0.43) OPRK1ADRB3MEN1MAPTKMT2A
SCHEMBL2531906 0.82 ADRB3 (0.38) ADRB3MAPTSMN1; SMN2KDM4EGAA
SCHEMBL2528949 0.81 L3MBTL1 (0.42) ADRB3MAPTKMT2ASMN1; SMN2KDM4E

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 MAPK1 1222/4885OPRK1 194/4885ADRB3 557/4885

“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.