SCHEMBL2526470

SCHEMBL2526470

CC(C)(C)OC(=O)CNCC(O)c1ccc(OC(=O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.38
BCHE P06276 2/20 0.38

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
SCHEMBL2525773 0.89 GPR119 (0.42) KMT2AMAOB
SCHEMBL2528142 0.88 PPARG (0.40) MEN1KMT2A
SCHEMBL2531906 0.88 ADRB3 (0.38) MAOBMAPT
SCHEMBL2533454 0.88 VNN1 (0.43)
SCHEMBL2528740 0.87 CYP1A2 (0.38) MAOBMAPT
SCHEMBL2527514 0.87 PDGFRB (0.41) MEN1KMT2AALDH1A1ADRB2ADRB1
SCHEMBL2527517 0.87 LMNA (0.44) ADRB2ADRB1
SCHEMBL2529623 0.86 ADRB3 (0.45) KMT2AADRB2ADRB1
SCHEMBL2530860 0.83 FFAR1 (0.39) ALDH1A1HTTADRB2ADRB1MAOB
SCHEMBL2530914 0.82 ADRB3 (0.42) MEN1KMT2APOLB

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 MEN1 1126/4885KMT2A 2317/4885ALDH1A1 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.