SCHEMBL3293183

SCHEMBL3293183

CC(N)CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(N)(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC1 Q13547 1/20 0.34
DRD2 P14416 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CAPN1 P07384 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
SCHEMBL3288385 0.87 TDP1 (0.49) CA14TDP1HDAC8HDAC1MAOA
SCHEMBL3290847 0.87 CA14 (0.39) CA14TDP1MAOAMAOBCA1
SCHEMBL6889560 0.84 CA14 (0.37) CA14TDP1MAOAMAOBCA1
SCHEMBL3287423 0.82 CA1 (0.37) CA14TDP1MAOAMAOBCA1
SCHEMBL3293190 0.82 CA14 (0.36) CA14CYP3A4TDP1HDAC8HDAC1
SCHEMBL3289322 0.80 CYP3A4 (0.32) CYP3A4TDP1DRD2MAOAMAOB
SCHEMBL4524349 0.80 DRD2 (0.32) CA14CYP3A4TDP1DRD2
SCHEMBL3293178 0.76 DRD2 (0.35) CA14CYP3A4TDP1HDAC8HDAC1
SCHEMBL13327343 0.75 CA14 (0.44) CA14CYP3A4TDP1HDAC8HDAC1
SCHEMBL3293809 0.73 CYP3A4 (0.32) CA14CYP3A4TDP1DRD2MAOA

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 5 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

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 CA14 1988/4885CYP3A4 4867/4885TDP1 1253/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CA14 1988/4885CYP3A4 4867/4885TDP1 1253/4885

“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.