SCHEMBL3289316

SCHEMBL3289316

CCCC(N(CC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)N)CN(C(=O)OC(C)(C)C)C(CCC)N(C(=O)OC(C)(C)C)C(CC)N(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(CC)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.32
DNM1 Q05193 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL3293801 0.92 SLC6A5 (0.37) NOD1DNM1CA12CA1CA2
SCHEMBL3295257 0.84 EPHX2 (0.35)
SCHEMBL4524344 0.83
SCHEMBL3293189 0.80 CAPN1 (0.39) NOD1DNM1CA12CA1CA2
SCHEMBL3289310 0.70 DRD2 (0.30)
SCHEMBL3293176 0.69 CAPN1 (0.36) NOD1DNM1
SCHEMBL7260635 0.68 TDP1 (0.36) CA12CA1CA2CA14
SCHEMBL23468563 0.67 CASP2 (0.61) NOD1DNM1
SCHEMBL13360023 0.66 DNM1 (0.43) DNM1CA14
SCHEMBL13868764 0.66 DNM1 (0.43) DNM1CA14

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 7 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-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 NOD1 4433/4885DNM1 539/4885CA12 1777/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 NOD1 4433/4885DNM1 539/4885CA12 1777/4885

“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.