SCHEMBL496839

SCHEMBL496839

CCCCCCCCCCCCCCCCSC1CCCC(OP(=O)(O)OCC[N+](C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDC25A P30304 1/20 0.39
AGTR1 P30556 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
FABP3 P05413 1/20 0.38
ACHE P22303 3/20 0.37
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35

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
SCHEMBL11122506 1.00 AKT1 (0.39) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL497015 1.00 AKT1 (0.39) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL11124429 1.00 AKT1 (0.39) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL11126408 1.00 AKT1 (0.39) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL496837 0.94 AKT1 (0.41) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL29396090 0.88 AKT1 (0.51) AKT1LMNAESR1ADORA3CDC25A
SCHEMBL11084352 0.81 S1PR4 (0.36)
SCHEMBL11289177 0.81 S1PR4 (0.36)
SCHEMBL11090273 0.81 S1PR4 (0.36)
SCHEMBL11084350 0.81 S1PR4 (0.36)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106032-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2012-01-31 US claimed
US-20080293667-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2008-11-27 US claimed
EP-0781138-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1997-07-02 EP claimed
WO-1996006620-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1996-03-07 WO claimed
US-8106032-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2012-01-31 US disclosed
US-20080293667-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2008-11-27 US disclosed
EP-0781138-B1 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS UNIV WAKE FOREST (US) 2008-05-21 EP disclosed
US-7294621-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
US-7294620-B2 Lipid analogs for inhibiting HIV-1 activity WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
US-7294619-B2 Lipid analogs for inhibiting the activity of hepatitis B antigen WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
EP-1852121-A2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2007-11-07 EP disclosed
US-20070105812-A1 Lipid analogs for inhibiting HIV-1 activity WAKE FOREST UNIVERSITY 2007-05-10 US disclosed
US-7141557-B2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-11-28 US disclosed
US-7135584-B2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-11-14 US disclosed
US-7129227-B1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-10-31 US disclosed
US-20050080050-A1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2005-04-14 US disclosed
US-20040259845-A1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY 2004-12-23 US disclosed
US-5962437-A HEPATITIS, HERPES AND AIDA VIRUS WAKE FOREST UNIVERSITY (US) 1999-10-05 US disclosed
EP-0781138-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1997-07-02 EP disclosed
WO-1996006620-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1996-03-07 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 (4 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-20070105812-A1 Lipid analogs for inhibiting HIV-1 activity SGMS1, HDLBP, LIPC AKT1 1239/4885LMNA 2728/4885ESR1 4384/4885
US-20040259845-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 AKT1 1836/4885LMNA 3758/4885ESR1 4108/4885
US-20050080050-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 AKT1 1836/4885LMNA 3758/4885ESR1 4108/4885
US-20080293667-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 AKT1 1553/4885LMNA 2362/4885ESR1 4327/4885

“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.