SCHEMBL6701639

SCHEMBL6701639

CC(C)(CCCSCCCSCCCC(C)(C)CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
CDC25B P30305 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC3 O15438 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
RARG P13631 1/20 0.39
CNR1 P21554 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
SCHEMBL6344409 0.93 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL6350515 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL6352946 0.88 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL23142607 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL3280302 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL6260701 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL17996063 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL13053960 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL6258628 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL6347057 0.81 L3MBTL1 (0.37) L3MBTL1TDP1KMT2APPARARAB9A

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 2827/4885L3MBTL1 3636/4885MAPK1 1289/4885

“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.