SCHEMBL1310798

SCHEMBL1310798

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCCN(C)c4ccc([N+](=O)[O-])c5nonc45)[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.53
FNTB P49356 5/20 0.53
ST6GAL1 P15907 2/20 0.44
ST3GAL1 Q11201 2/20 0.44
SRD5A1 P18405 7/20 0.43
SRD5A2 P31213 3/20 0.43
ST3GAL3 Q11203 1/20 0.43
USP2 O75604 2/20 0.40
NPC1L1 Q9UHC9 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDC25A P30304 2/20 0.39

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
SCHEMBL1310805 0.91 FNTA (0.45) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL12115312 0.91 FNTA (0.45) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL16505506 0.91 FNTA (0.45) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL13262135 0.91 FNTA (0.45) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL1310949 0.86 ST6GAL1 (0.43) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL2496466 0.78 ST6GAL1 (0.52) FNTAFNTBST6GAL1ST3GAL1SRD5A1
SCHEMBL2448736 0.77 NPC1L1 (0.55) ST6GAL1ST3GAL1ST3GAL3USP2NPC1L1
SCHEMBL4142848 0.76 POLA1 (0.54) ST6GAL1ST3GAL1USP2NPC1L1LMNA
SCHEMBL1542841 0.74 ATIC (0.48) ST6GAL1ST3GAL1ST3GAL3USP2NPC1L1
SCHEMBL16506704 0.74 ATIC (0.48) ST6GAL1ST3GAL1ST3GAL3USP2NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2747750-A2 LIPOSOME COMPRISING AT LEAST A CHOLESTEROL DERIVATIVE Trophos (FR) 2014-07-02 EP claimed
WO-2013026989-A2 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2013-02-28 WO claimed
US-9115059-B2 Oxime derivatives of 3,5-seco-4-nor-cholestane, pharmaceutical compositions containing same, and method for preparing same TROPHOS (FR) 2015-08-25 US disclosed
EP-2747750-A2 LIPOSOME COMPRISING AT LEAST A CHOLESTEROL DERIVATIVE Trophos (FR) 2014-07-02 EP disclosed
WO-2013026989-A2 LIPOSOME COMPRISING AT LEAST ONE CHOLESTEROL DERIVATIVE TROPHOS (FR) 2013-02-28 WO disclosed
US-20110275680-A1 NOXEL OXIME DERIVATIVES OF 3, 5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2011-11-10 US disclosed
EP-2370071-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME Trophos (FR) 2011-10-05 EP disclosed
WO-2010076418-A1 NOVEL OXIME DERIVATIVES OF 3,5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME TROPHOS (FR) 2010-07-08 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 (1 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-20110275680-A1 NOXEL OXIME DERIVATIVES OF 3, 5-SECO-4-NOR-CHOLESTANE, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PREPARING SAME NR1H2, NR1H3, NOX3 FNTA 737/4885FNTB 968/4885ST6GAL1 4030/4885

“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.