SCHEMBL2829761

SCHEMBL2829761

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](OC2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.73
POLB P06746 1/20 0.59
POLA1 P09884 1/20 0.54
PTPN7 P35236 1/20 0.54
DUSP3 P51452 1/20 0.54
CYP46A1 Q9Y6A2 2/20 0.53
USP2 O75604 2/20 0.52
LMNA P02545 1/20 0.52
ABCB1 P08183 1/20 0.52
OSBP P22059 1/20 0.52
RORC P51449 1/20 0.52
OSBP2 Q969R2 1/20 0.52
GBA1 P04062 2/20 0.49
UGCG Q16739 2/20 0.49
GBA2 Q9HCG7 2/20 0.49
NR1H3 Q13133 3/20 0.48
PLA2G2A P14555 1/20 0.47
EPHA2 P29317 1/20 0.46
NPC1L1 Q9UHC9 1/20 0.46

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
SCHEMBL30650078 1.00 DPP4 (0.73) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30652021 1.00 DPP4 (0.73) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30650719 1.00 DPP4 (0.73) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30651191 1.00 DPP4 (0.73) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30650273 0.99 DPP4 (0.72) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30652963 0.99 DPP4 (0.72) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30652618 0.99 DPP4 (0.72) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL30651608 0.99 DPP4 (0.72) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL12207653 0.96 DPP4 (0.76) DPP4POLBPOLA1PTPN7DUSP3
SCHEMBL9978568 0.96 DPP4 (0.76) DPP4POLBPOLA1PTPN7DUSP3

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
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 claimed
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 claimed
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
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
EP-1613641-A2 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 HEALTH AND HUMAN SERVICES (US) 2006-01-11 EP disclosed
WO-2004089969-A2 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 HEALTHAND HUMAN SERVICES (US) 2004-10-21 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-20060204515-A1 Cholesterol-containing compounds and their use as immunogens against borrelia burgdorferi LCAT, APOB, CETP DPP4 2742/4885POLB 4104/4885POLA1 4388/4885
US-20100062023-A1 CHOLESTEROL-CONTAINING COMPOUNDS AND THEIR USE AS IMMUNOGENS AGAINST BORRELIA BURGDORFERI LCAT, APOB, CETP DPP4 2742/4885POLB 4104/4885POLA1 4388/4885

“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.