SCHEMBL5375923

SCHEMBL5375923

Cc1c(C)c2c(c(C)c1OCOP(=O)(O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.79
PSEN1 P49768 3/20 0.72
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
PDE4A P27815 1/20 0.68
PDE3A Q14432 1/20 0.68
LMNA P02545 3/20 0.64
TTPA P49638 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
PTPN1 P18031 1/20 0.63
NR1I2 O75469 3/20 0.55
ALOX5 P09917 1/20 0.54
PGR P06401 1/20 0.50
AKT1 P31749 2/20 0.48
PDPK1 O15530 1/20 0.48

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
SCHEMBL14444572 1.00 GSTO1 (0.79) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL5372107 0.91 GSTO1 (0.70) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL628600 0.89 GSTO1 (0.79) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL18785106 0.88 GSTO1 (1.00) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL2507605 0.88 GSTO1 (1.00) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL17080738 0.88 GSTO1 (1.00) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL15960056 0.88 GSTO1 (1.00) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL10476840 0.88 GSTO1 (1.00) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL4374701 0.87 GSTO1 (0.98) GSTO1PSEN1MEN1KMT2APDE4A
SCHEMBL627880 0.87 GSTO1 (0.76) GSTO1PSEN1MEN1KMT2APDE4A

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-7244718-B2 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS (US) 2007-07-17 US disclosed
EP-1683803-A1 Water soluble prodrugs of hindered alcohols or phenols THE UNIVERSITY OF KANSAS (US) 2006-07-26 EP disclosed
EP-1102776-B1 WATER SOLUBLE PRODRUGS OF HINDERED PHENOLS UNIV KANSAS (US) 2006-03-08 EP disclosed
US-20050090431-A1 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS (US) 2005-04-28 US disclosed
US-6872838-B2 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS (US) 2005-03-29 US disclosed
US-20030176324-A1 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS 2003-09-18 US disclosed
US-6451776-B2 A WATER SOLUBLE PHOPHONOOXYMETHYL ETHERS OF HINDERED ALCOHOL AND PHENOL CONTAINING PHARMECEUTICALS, SUCH AS CAMPTOTHECIN, PROPOFOL, ETOPOSIDE, VITAMIN E, AND CYCLOSPROIN A UNIVERSITY OF KANSAS 2002-09-17 US disclosed
US-20010025035-A1 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS 2001-09-27 US disclosed
EP-1102776-A1 WATER SOLUBLE PRODRUGS OF HINDERED ALCOHOLS OR PHENOLS THE UNIVERSITY OF KANSAS (US) 2001-05-30 EP disclosed
WO-2000008033-A1 WATER SOLUBLE PRODRUGS OF HINDERED ALCOHOLS OR PHENOLS THE UNIVERSITY OF KANSAS (US) 2000-02-17 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-20030176324-A1 Water soluble prodrugs of hindered alcohols ADH1A, ADH5, ADH1C GSTO1 712/4885PSEN1 4549/4885MEN1 3499/4885
US-20050090431-A1 Water soluble prodrugs of hindered alcohols ADH1A, ADH5, ADH1C GSTO1 712/4885PSEN1 4549/4885MEN1 3499/4885
US-20010025035-A1 Water soluble prodrugs of hindered alcohols ADH1A, ADH5, ADH1C GSTO1 712/4885PSEN1 4549/4885MEN1 3499/4885

“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.