SCHEMBL3025341

SCHEMBL3025341

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
CA12 O43570 7/20 0.36
CA9 Q16790 7/20 0.36
EPHX1 P07099 1/20 0.36
ANPEP P15144 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
HTT P42858 1/20 0.34
SERPINE1 P05121 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL3013440 0.89 MEN1 (0.49) MAOAMAOBMEN1GAAKMT2A
SCHEMBL2852153 0.84 MEN1 (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL856286 0.84 MEN1 (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL2852156 0.84 MEN1 (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL13959822 0.83 MEN1 (0.54) MAOAMAOBMEN1GAAKMT2A
SCHEMBL30299043 0.83 MAOA (0.53) MAOAMAOBMEN1GAAKMT2A
SCHEMBL3957007 0.82 MEN1 (0.45) MAOAMAOBMEN1GAAKMT2A
SCHEMBL1307836 0.81 MAOA (0.57) MAOAMAOBMEN1GAAKMT2A
SCHEMBL6384884 0.81 MAOA (0.57) MAOAMAOBMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL6512546 0.80 MAOA (0.55) MAOAMAOBMEN1GAAKMT2A

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-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 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-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 MAOA 215/4885MAOB 221/4885MEN1 102/4885

“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.