SCHEMBL9921239

SCHEMBL9921239

COCCCN1CCC(C(=O)OC)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
CYP3A4 P08684 1/20 0.42
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.39
GALR3 O60755 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL16418027 0.90 LTA4H (0.56) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL16418010 0.86 S1PR5 (0.45) CYP3A4TP53
SCHEMBL8518749 0.86 BCHE (0.50) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL9917385 0.85 LTA4H (0.47) LTA4HCYP3A4BRD4TP53SMN1; SMN2
SCHEMBL28953619 0.84 LTA4H (0.48) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL19637430 0.84 LTA4H (0.54) LTA4HALDH1A1GAABCHETHRA
SCHEMBL3277644 0.82 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL13146450 0.82 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL18914467 0.82 LTA4H (0.46) LTA4HBRD4TP53SMN1; SMN2ALDH1A1
SCHEMBL17915383 0.81 LTA4H (0.50) LTA4HBRD4TP53SMN1; SMN2ALDH1A1

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-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 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

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 2558/4885CYP3A4 2026/4885BRD4 475/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885CYP3A4 2026/4885BRD4 475/4885

“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.