SCHEMBL5065788

SCHEMBL5065788

CC(C)(C)N(CCC(O)c1ccccc1Cl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
BLM P54132 1/20 0.47
AOC3 Q16853 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 3/20 0.38
NISCH Q9Y2I1 1/20 0.38
FDFT1 P37268 1/20 0.38
CASP1 P29466 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL175518 0.86 AOC3 (0.55) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL5067518 0.83 MEN1 (0.40) HIF1AMEN1KMT2AHTTL3MBTL1
SCHEMBL5065804 0.81 RIPK1 (0.53) AOC3MEN1KMT2AHTTL3MBTL1
SCHEMBL1529441 0.81 RIPK1 (0.53) AOC3MEN1KMT2AHTTL3MBTL1
SCHEMBL5069200 0.81 RIPK1 (0.53) AOC3MEN1KMT2AHTTL3MBTL1
SCHEMBL16673918 0.78 AOC3 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL5065045 0.77 AOC3 (0.43) AOC3MEN1KMT2AHTTL3MBTL1
SCHEMBL1529933 0.76 AOC3 (0.43) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL5069163 0.76 ADRB3 (0.41) ADRB2ADRB1CYP2D6MEN1KMT2A
SCHEMBL16673586 0.75 AOC3 (0.39) ADRB2ADRB1CYP2D6NFKB1HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ADRB2 4820/4885ADRB1 4693/4885CYP2D6 3974/4885

“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.