SCHEMBL5445012

SCHEMBL5445012

Cc1cc(C)c2c(c1C)OC(C)(CCC(=O)Oc1c(C)c(C)c3c(c1C)CCC(C)(CCC(=O)O)O3)CC2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.59
PTPN1 P18031 1/20 0.59
ALOX5 P09917 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
PSEN1 P49768 5/20 0.46
NR1I2 O75469 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
SCHEMBL4779257 0.88 ALOX5 (0.51) GSTO1PTPN1ALOX5PSEN1NR1I2
SCHEMBL5445014 0.85 ALOX5 (0.63) ALOX5MEN1KMT2ANR1I2
SCHEMBL3096678 0.82 MEN1 (0.65) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL13156985 0.82 MEN1 (0.65) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL17991478 0.82 GSTO1 (0.70) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL5806822 0.78 ALOX5 (0.57) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL3112441 0.78 GSTO1 (0.93) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL20822167 0.78 PTPN1 (0.45) GSTO1PTPN1ALOX5PSEN1NR1I2
SCHEMBL17164637 0.76 GSTO1 (0.52) GSTO1PTPN1ALOX5MEN1KMT2A
SCHEMBL7799047 0.76 PSEN1 (0.45) GSTO1PTPN1ALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J 2007-02-15 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-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, GSTM1 GSTO1 6/4885PTPN1 2288/4885ALOX5 150/4885

“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.