SCHEMBL2525580

SCHEMBL2525580

Cc1cc(C)c(C(=O)Oc2ccc(C(CN(C)C(=O)OC(C)(C)C)c3nccn3C(=O)O)cc2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.32
FFAR1 O14842 5/20 0.31
AURKA O14965 3/20 0.31
RPS6KB1 P23443 3/20 0.31
GPR88 Q9GZN0 1/20 0.31
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2529260 0.88 SLC6A2 (0.42) CYP26A1AURKARPS6KB1GPR88ALDH1A1
SCHEMBL2529616 0.88 GPR88 (0.33) AURKARPS6KB1GPR88
SCHEMBL2529211 0.87 FFAR1 (0.34) FFAR1AURKARPS6KB1GPR88
SCHEMBL2529144 0.87 AURKA (0.34) CYP26A1FFAR1AURKARPS6KB1GPR88
SCHEMBL2524954 0.87 AURKA (0.34) CYP26A1FFAR1AURKARPS6KB1GPR88
SCHEMBL2527380 0.87 KMT2A (0.37) FFAR1AURKARPS6KB1CYP3A4ALDH1A1
SCHEMBL2526628 0.86 AURKA (0.39) FFAR1AURKARPS6KB1GPR88
SCHEMBL2531263 0.86 FFAR1 (0.35) FFAR1AURKARPS6KB1GPR88SLC6A2
SCHEMBL2527048 0.86 AURKA (0.35) FFAR1AURKARPS6KB1GPR88ALDH1A1
SCHEMBL2527399 0.86 SLC6A2 (0.41) AURKARPS6KB1GPR88ALDH1A1L3MBTL1

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 CYP26A1 4756/4885FFAR1 60/4885AURKA 2197/4885

“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.