SCHEMBL2528830

SCHEMBL2528830

CN(CC(c1ccc(OC(=O)c2cccc(F)c2F)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.38
RPS6KB1 P23443 7/20 0.38
GPR88 Q9GZN0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
FFAR1 O14842 2/20 0.30
S1PR3 Q99500 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 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
SCHEMBL2533520 0.94 AURKA (0.35) AURKARPS6KB1GPR88KAT6AKAT5
SCHEMBL2530359 0.94 KMT2A (0.37) AURKARPS6KB1GPR88ALDH1A1KMT2A
SCHEMBL2526628 0.91 AURKA (0.39) AURKARPS6KB1GPR88KMT2AFFAR1
SCHEMBL2527495 0.89 AURKA (0.34) AURKARPS6KB1GPR88KAT6AKAT5
SCHEMBL2528208 0.89 AURKA (0.34) AURKARPS6KB1GPR88KAT6AKAT5
SCHEMBL2527048 0.88 AURKA (0.35) AURKARPS6KB1GPR88ALDH1A1TDP1
SCHEMBL2529616 0.88 GPR88 (0.33) AURKARPS6KB1GPR88KAT6AKAT5
SCHEMBL2527415 0.87 AURKA (0.37) AURKARPS6KB1KAT6AKAT5TDP1
SCHEMBL2529414 0.87 AURKA (0.38) AURKARPS6KB1GPR88ALDH1A1TDP1
SCHEMBL2531074 0.87 AURKA (0.35) AURKARPS6KB1GPR88ALDH1A1TDP1

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 AURKA 2197/4885RPS6KB1 1424/4885GPR88 672/4885

“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.