SCHEMBL2529211

SCHEMBL2529211

CN(CC(c1ccc(OC(=O)c2c(Cl)cc(Cl)cc2Cl)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.34
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
S1PR3 Q99500 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
AURKA O14965 2/20 0.31
RPS6KB1 P23443 2/20 0.31
FPR2 P25090 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
KMT2A Q03164 1/20 0.30
LIPE Q05469 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
SCHEMBL2531263 0.92 FFAR1 (0.35) FFAR1KAT6AKAT5AURKARPS6KB1
SCHEMBL2530502 0.91 AURKA (0.32) FFAR1KAT6AKAT5S1PR3AURKA
SCHEMBL2526887 0.90 NR1H4 (0.39) FFAR1KAT6AKAT5S1PR3NR1H4
SCHEMBL2532739 0.88 HTT (0.36) FFAR1S1PR3FPR2KMT2A
SCHEMBL2526892 0.88 MAPT (0.38) FFAR1KAT6AKAT5AURKARPS6KB1
SCHEMBL2525580 0.87 CYP26A1 (0.32) FFAR1AURKARPS6KB1GPR88
SCHEMBL2529616 0.87 GPR88 (0.33) KAT6AKAT5AURKARPS6KB1GPR88
SCHEMBL2531611 0.87 KDM4E (0.39) FFAR1AURKARPS6KB1KMT2A
SCHEMBL2530772 0.87 KMT2A (0.35) FFAR1AURKARPS6KB1GPR88KMT2A
SCHEMBL2524954 0.87 AURKA (0.34) FFAR1KAT6AKAT5S1PR3AURKA

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 60/4885KAT6A 1834/4885KAT5 272/4885

“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.