SCHEMBL9921268

SCHEMBL9921268

COC(=O)C1CCN(CCOC(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR1 P21453 1/20 0.36

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
SCHEMBL9917385 0.92 LTA4H (0.47) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL9911420 0.91 TP53 (0.45) LTA4HWNT1GSK3BDYRK1ATP53
SCHEMBL9917386 0.85 SLC6A1 (0.44) TP53
SCHEMBL16418027 0.84 LTA4H (0.56) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL9917384 0.82 WNT1 (0.38) LTA4HWNT1GSK3BDYRK1ASMN1; SMN2
SCHEMBL3277644 0.80 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL13146450 0.80 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL9921239 0.79 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL24960898 0.78 SMN1; SMN2 (0.45) LTA4HTP53SMN1; SMN2ALDH1A1GAA
SCHEMBL29339640 0.78 WNT1 (0.43) LTA4HWNT1GSK3BDYRK1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885WNT1 3065/4885GSK3B 975/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885WNT1 3065/4885GSK3B 975/4885

“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.