SCHEMBL628454

SCHEMBL628454

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 1.00
PTPN1 P18031 1/20 1.00
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
PDE4A P27815 1/20 0.77
PDE3A Q14432 1/20 0.77
PSEN1 P49768 4/20 0.75
TTPA P49638 3/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 2/20 0.64
GSTP1 P09211 1/20 0.64
USP2 O75604 1/20 0.64
THRB P10828 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
NR1I2 O75469 3/20 0.59
ALOX5 P09917 1/20 0.59
PGR P06401 1/20 0.54
AKT1 P31749 1/20 0.46

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
SCHEMBL21999363 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL17749239 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL29409614 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL29903398 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL12628147 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL2162349 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
(+)-Alpha-Tocopheryl Succinate SCHEMBL134422 1.00 GSTO1 (1.00) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL13309644 0.96 GSTO1 (0.93) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL12535829 0.96 GSTO1 (0.93) GSTO1PTPN1MEN1KMT2APDE4A
SCHEMBL22199470 0.96 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273871-A1 ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-28 US claimed
US-8461362-B2 Protein phosphatase 2A-activating agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-06-11 US disclosed
EP-2419414-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS The Ohio State University Research Foundation (US) 2012-02-22 EP disclosed
US-20100273871-A1 ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-28 US disclosed
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO SATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
WO-2010120711-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-10-21 WO disclosed
EP-1986635-A4 ANTICANCER AGENTS UNIV OHIO STATE RES FOUND (US) 2009-04-22 EP disclosed
EP-1986635-A2 ANTICANCER AGENTS THE OHIO STATE RESEARCH FOUNDATION (US) 2008-11-05 EP disclosed
US-20080009545-A1 Anticancer agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-01-10 US disclosed
WO-2007098139-A2 ANTICANCER AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-08-30 WO 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-20100273871-A1 ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES SDHA, SDHB, SUCNR1 GSTO1 191/4885PTPN1 4113/4885MEN1 2933/4885
US-20080009545-A1 Anticancer agents SUCNR1, CPS1, HIF1AN GSTO1 1338/4885PTPN1 2349/4885MEN1 1341/4885
US-20100267673-A1 PROTEIN PHOSPHATASE 2A-ACTIVATING AGENTS PPP2CA, PPP2R2A, PPP2R1A GSTO1 251/4885PTPN1 386/4885MEN1 4219/4885

“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.