SCHEMBL3290841

SCHEMBL3290841

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCN)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
CTSK P43235 6/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL3288380 0.92 TDP1 (0.46) CA14TDP1MAOAMAOBMEN1
SCHEMBL6889555 0.90 CA14 (0.35) CA14TDP1MAOAMAOBMEN1
SCHEMBL3293178 0.88 DRD2 (0.35) CA14TDP1MAOAMAOBMEN1
SCHEMBL7747687 0.88 MAOA (0.41) TDP1GNAI3GNAO1GNAI1MAOA
SCHEMBL3287420 0.88 CA1 (0.34) CA14TDP1MAOAMAOBMEN1
SCHEMBL3290852 0.84 TDP1 (0.41) CA14TDP1MAOAMAOBMEN1
SCHEMBL3288125 0.82 CAPN1 (0.35) CA14
SCHEMBL3295787 0.82 CAPN1 (0.35) CA14
SCHEMBL3294310 0.82 CAPN1 (0.35) CA14
SCHEMBL13327085 0.80 TDP1 (0.46) CA14TDP1GNAI3GNAO1GNAI1

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 1988/4885TDP1 1253/4885GNAI3 2572/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CA14 1988/4885TDP1 1253/4885GNAI3 2572/4885

“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.