SCHEMBL2530798

SCHEMBL2530798

COc1cccc(OC)c1C(=O)Oc1ccc(C(CN(C)C(=O)OC(C)(C)C)c2nccn2C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.36
AURKA O14965 6/20 0.33
RPS6KB1 P23443 6/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FPR2 P25090 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2527508 0.91 HPGD (0.45) FFAR1AURKARPS6KB1HPGDXBP1
SCHEMBL2526628 0.89 AURKA (0.39) FFAR1AURKARPS6KB1GPR88MAPT
SCHEMBL2531263 0.89 FFAR1 (0.35) FFAR1AURKARPS6KB1GPR88MAPT
SCHEMBL2528486 0.88 ESR1 (0.39) FFAR1AURKARPS6KB1NPSR1MEN1
SCHEMBL2529616 0.87 GPR88 (0.33) AURKARPS6KB1GPR88
SCHEMBL2526970 0.87 CYP1A2 (0.38) FFAR1AURKARPS6KB1CYP1A2CYP2D6
SCHEMBL2527399 0.87 SLC6A2 (0.41) AURKARPS6KB1GPR88MAPTKMT2A
SCHEMBL2529745 0.87 KMT2A (0.40) FFAR1AURKARPS6KB1HPGDXBP1
SCHEMBL2526878 0.86 FFAR1 (0.34) FFAR1AURKARPS6KB1CYP1A2CYP2D6
SCHEMBL2525580 0.86 CYP26A1 (0.32) FFAR1AURKARPS6KB1GPR88

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 FFAR1 60/4885AURKA 2197/4885RPS6KB1 1424/4885

“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.