SCHEMBL3288385

SCHEMBL3288385

CC(C)(C)OC(=O)NCCCCN(CC(CCCCCCO)C(N)(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
CA14 Q9ULX7 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA12 O43570 5/20 0.34
CA9 Q16790 5/20 0.34
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL3290847 0.93 CA14 (0.39) TDP1CA14MAOAMAOBMEN1
SCHEMBL6889560 0.90 CA14 (0.37) TDP1CA14MAOAMAOBMEN1
SCHEMBL3287423 0.88 CA1 (0.37) TDP1CA14MAOAMAOBMEN1
SCHEMBL3293183 0.87 CA14 (0.35) TDP1CA14MAOAMAOBMEN1
SCHEMBL13327079 0.82 TDP1 (0.60) TDP1CA14MAOAMAOBMEN1
SCHEMBL16349550 0.80 TDP1 (0.57) TDP1CA14MAOAMAOBMEN1
SCHEMBL3288396 0.79 TDP1 (0.53) TDP1CA14MAOAMAOBMEN1
SCHEMBL567298 0.78 TDP1 (0.53) TDP1CA14MAOAMAOBMEN1
SCHEMBL567300 0.78 TDP1 (0.53) TDP1CA14MAOAMAOBMEN1
SCHEMBL3289724 0.77 TDP1 (0.44) TDP1CA14MAOAMAOBMEN1

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 TDP1 1253/4885CA14 1988/4885MAOA 3200/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885CA14 1988/4885MAOA 3200/4885

“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.