SCHEMBL12535829

SCHEMBL12535829

Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CCC(C)(CCCC(C)CCC(C)CCC(C)C)O2

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.93
PTPN1 P18031 1/20 0.93
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
PDE4A P27815 1/20 0.71
PDE3A Q14432 1/20 0.71
PSEN1 P49768 4/20 0.69
TTPA P49638 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
GSTP1 P09211 1/20 0.58
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NR1I2 O75469 3/20 0.56
ALOX5 P09917 2/20 0.56
PGR P06401 1/20 0.50
AKT1 P31749 1/20 0.44

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
(+)-Alpha-Tocopheryl Succinate SCHEMBL29903398 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL2162349 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL29409614 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL21999363 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL17749239 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL12628147 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL134422 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL628454 0.96 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL3112441 0.94 GSTO1 (0.93) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL13309644 0.93 GSTO1 (0.93) GSTO1PTPN1MEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 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 (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-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 GSTO1 889/4885PTPN1 3859/4885MEN1 2977/4885

“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.