SCHEMBL496957

SCHEMBL496957

CCCCCCCCCCCC(=O)NC(O)(O)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
FAAH O00519 6/20 0.53
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL29053617 1.00 HSP90AA1 (0.55) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL11899543 0.90 HRH3 (0.68) FAAHHRH3MEN1KMT2APPARG
SCHEMBL8003011 0.86 HSP90AA1 (0.53) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL314089 0.86 HSP90AA1 (0.53) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL1703730 0.84 ALDH1A1 (0.46) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL28318362 0.82 HSP90AA1 (0.53) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL4627638 0.82 HSP90AA1 (0.57) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL10456338 0.82 HSP90AA1 (0.57) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL21151833 0.82 HSP90AA1 (0.57) HSP90AA1FAAHHRH3ALDH1A1MEN1
SCHEMBL456198 0.82 HSP90AA1 (0.57) HSP90AA1FAAHHRH3ALDH1A1MEN1

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 18 patents. 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 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-20070105811-A1 Lipid analogs for inhibiting the activity of hepatitis B antigen WAKE FOREST UNIVERSITY 2007-05-10 US disclosed
US-20070099870-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY 2007-05-03 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 (6 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 HSP90AA1 2539/4885FAAH 297/4885HRH3 2670/4885
US-20070105811-A1 Lipid analogs for inhibiting the activity of hepatitis B antigen LIPC, APOB, PNLIP HSP90AA1 1163/4885FAAH 287/4885HRH3 2265/4885
US-20040259845-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 HSP90AA1 1654/4885FAAH 210/4885HRH3 1200/4885
US-20050080050-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 HSP90AA1 1654/4885FAAH 210/4885HRH3 1200/4885
US-20080293667-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 HSP90AA1 1061/4885FAAH 489/4885HRH3 3657/4885
US-20070099870-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 HSP90AA1 1061/4885FAAH 489/4885HRH3 3657/4885

“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.