SCHEMBL21999363

SCHEMBL21999363

Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CCC(C)(CCCC(C)CCCC(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
SCHEMBL628454 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH GSTO1 1361/4885PTPN1 4848/4885MEN1 2749/4885

“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.