SCHEMBL6407428

SCHEMBL6407428

CC(C)(CCCO)CCSCCSCCC(C)(C)CCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
BHMT Q93088 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL6518995 0.92 SMN1; SMN2 (0.37) BHMTSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6351820 0.88 TDP1 (0.36) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6344382 0.85 TDP1 (0.38) TDP1BHMT
SCHEMBL6341205 0.84 CYP4F2 (0.37) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6344172 0.82 CYP4F2 (0.32) TDP1CYP4F2CYP4A11
SCHEMBL6347060 0.81 TDP1 (0.35) TDP1BHMT
SCHEMBL6448246 0.79 SMN1; SMN2 (0.42) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6353314 0.78 TDP1 (0.36) TDP1
SCHEMBL6346940 0.77 BHMT (0.36) TDP1BHMT
SCHEMBL20438000 0.76 TDP1 (0.46) TDP1SMN1; SMN2LMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP claimed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP claimed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US claimed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS TDP1 3733/4885BHMT 353/4885SMN1; SMN2 1383/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS TDP1 3708/4885BHMT 396/4885SMN1; SMN2 1522/4885

“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.