SCHEMBL2830913

SCHEMBL2830913

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.53
SLC2A1 P11166 1/20 0.49
DGKA P23743 1/20 0.49
AKT1 P31749 2/20 0.46
PAM P19021 2/20 0.45
VEGFA P15692 3/20 0.45
SELP P16109 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44

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
SCHEMBL2195712 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL7049923 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2195708 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL2200385 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL13561244 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL21662370 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9225257 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9230101 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL13561243 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM
SCHEMBL9390433 1.00 TLR4 (0.53) TLR4SLC2A1DGKAAKT1PAM

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-20100062023-A1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI The Government of the United States of America as represented by the Secretary, Department of 2010-03-11 US disclosed
US-7666846-B2 a conjugate of chloesterol containing compound having a sugar moiety containing methyl esteralkyleneazide group and a carrier protein; produce an effective vaccine to prevent Lyme disease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-02-23 US disclosed
EP-2030979-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi The Government of the United States of America as Represented by The Department of Health and Human Services (US) 2009-03-04 EP disclosed
EP-1613641-B1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI US GOV HEALTH & HUMAN SERV (US) 2009-01-14 EP disclosed
US-20060204515-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-09-14 US disclosed
US-20050196342-A1 Contrast agents GE HEALTHCARE AS (NO) 2005-09-08 US disclosed
US-20050031543-A1 Microbubble-generating carbohydrate microparticles with an incorporated surfactant for enhanced echocardiographic imaging AMERSHAM HEALTH AS 2005-02-10 US disclosed
US-20030059373-A1 Contrast agents NYCOMED IMAGING AS 2003-03-27 US disclosed
EP-0620744-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2000-04-12 EP disclosed
EP-0972527-A2 Contrast agents containing carbohydrate particles and a surfactant NYCOMED IMAGING AS (NO) 2000-01-19 EP disclosed
US-5827502-A COMPRISING A CARBOHYDRATE MIXED WITH A SURFACTANT AND A BIOCOMPATIBLE LOW-MOLECULAR-WEIGHT FLUORINATED HYDROCARBON AS GAS; DIAGNOSTIC ULTRASONIC AND MAGNETIC RESONANCE IMAGING NYCOMED IMAGING AS (NO) 1998-10-27 US disclosed
EP-0586524-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1997-04-23 EP disclosed
US-5569449-A BIOTOLERABLE MATRIX IN ASSOCIATION WITH FLUORINATED GAS, STABILIZED BY PRESENCE OF CROSS-LINKING GROUPS ATTACHED TO MATRIX NYCOMED IMAGING AS (NO) 1996-10-29 US disclosed
US-5558857-A ULTRASONIC NYCOMED IMAGING AS (NO) 1996-09-24 US disclosed
EP-0620744-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-10-26 EP disclosed
EP-0586524-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS. HOLMES MICHAEL JOHN (GB) 1994-03-16 EP disclosed
WO-1993013808-A2 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS HOLMES, MICHAEL, JOHN (GB) 1993-07-22 WO disclosed
WO-1992021382-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS HOLMES, MICHAEL, JOHN (GB) 1992-12-10 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-20060204515-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi LCAT, APOB, CETP TLR4 117/4885SLC2A1 2549/4885DGKA 527/4885
US-20100062023-A1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI LCAT, APOB, CETP TLR4 117/4885SLC2A1 2549/4885DGKA 527/4885

“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.