SCHEMBL3294154

SCHEMBL3294154

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
LTA4H P09960 1/20 0.42
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC7A5 Q01650 1/20 0.35
LMNA P02545 2/20 0.34
PMP22 Q01453 1/20 0.34
NLRP3 Q96P20 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
DGAT1 O75907 1/20 0.33
CA1 P00915 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
SCHEMBL25412373 0.94 NOS1 (0.43) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL8639283 0.92 LTA4H (0.41) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL27303318 0.92 GSR (0.43) LTA4HKMT2AMEN1GAACYP1A2
SCHEMBL7851826 0.92 GSR (0.43) LTA4HKMT2AMEN1GAACYP1A2
SCHEMBL23845250 0.92 NOS1 (0.39) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL3594439 0.92 LTA4H (0.41) NOS1NOS3NOS2LTA4HKMT2A
Hydrochloric Acid SCHEMBL4910187 0.90 LTA4H (0.40) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL17449764 0.89 NOS1 (0.40) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL67349 0.89 NOS1 (0.40) NOS1NOS3NOS2LTA4HKMT2A
SCHEMBL20496961 0.89 NOS1 (0.40) NOS1NOS3NOS2LTA4HKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 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 (2 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 NOS1 4823/4885NOS3 4728/4885NOS2 4723/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 NOS1 4823/4885NOS3 4728/4885NOS2 4723/4885

“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.