SCHEMBL2531063

SCHEMBL2531063

CN(CC(O)c1ccc(OC(=O)CCc2ccccc2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
RIPK1 Q13546 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PDK2 Q15119 1/20 0.34
PTPN1 P18031 1/20 0.34
ACKR3 P25106 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BACE1 P56817 2/20 0.33
GPR88 Q9GZN0 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2525471 0.91 ALDH1A1 (0.38) RIPK1KMT2AMEN1ATMALDH1A1
SCHEMBL2530998 0.88 KMT2A (0.49) KMT2ABACE1
SCHEMBL2532007 0.84 BCL9 (0.41) KMT2AMAPTALDH1A1LMNABACE1
SCHEMBL2532643 0.84 KMT2A (0.42) KMT2ABACE1
SCHEMBL2527542 0.83 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1
SCHEMBL2526823 0.82 AOC3 (0.43) KMT2AMAPTALDH1A1LMNA
SCHEMBL2531062 0.82 AURKA (0.38) RIPK1KMT2AMAPTPDK2
SCHEMBL2529496 0.82 KMT2A (0.37) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL2529281 0.81 ESR1 (0.49) KMT2AMEN1GPR88
SCHEMBL2525142 0.81 AOC3 (0.40) MAPTLMNAGPR88

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 AKR1C3 1105/4885AKR1C2 1657/4885RIPK1 899/4885

“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.