SCHEMBL9917385

SCHEMBL9917385

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9921268 0.92 LTA4H (0.52) LTA4HALDH1A1TSHRMAPTBRD4
SCHEMBL9917387 0.86 S1PR5 (0.43)
SCHEMBL9921239 0.85 LTA4H (0.51) LTA4HALDH1A1MAPTTHRATHRB
SCHEMBL9911420 0.82 TP53 (0.45) LTA4HALDH1A1TSHRMAPTTHRA
SCHEMBL8518749 0.81 BCHE (0.50) LTA4HTHRATHRBBRD4TP53
SCHEMBL28953619 0.80 LTA4H (0.48) LTA4HALDH1A1THRATHRBBRD4
SCHEMBL20739188 0.80 HRH3 (0.48) LTA4HALDH1A1TSHRMAPTHRH2
SCHEMBL16418027 0.79 LTA4H (0.56) LTA4HALDH1A1THRATHRBBRD4
SCHEMBL19637430 0.79 LTA4H (0.54) LTA4HALDH1A1THRATHRBCYP2C19
SCHEMBL13146450 0.77 LTA4H (0.51) LTA4HALDH1A1THRATHRBBRD4

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 6 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
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 (3 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 2558/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885ALDH1A1 2855/4885TSHR 4766/4885

“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.