SCHEMBL3013440

SCHEMBL3013440

CC(C)(C)OC(=O)NCCNCC(O)CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
EPHX1 P07099 1/20 0.43
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
SYK P43405 1/20 0.36
SERPINE1 P05121 1/20 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
SCHEMBL3957007 0.92 MEN1 (0.45) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13959822 0.90 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30299043 0.90 MAOA (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13960156 0.90 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16379307 0.90 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3025341 0.89 MAOA (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL570033 0.88 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9354709 0.83 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8194926 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13247436 0.82 MEN1 (0.47) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO 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-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 MEN1 102/4885GAA 3415/4885KMT2A 3281/4885

“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.