SCHEMBL3132944

SCHEMBL3132944

CC(=O)Oc1c(C)c(C)c(O)c(CCC(C)=CCCC(C)CCCC(C)CCCC(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
PDE4A P27815 2/20 0.42
PDE3A Q14432 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.40
CDC25B P30305 1/20 0.40
PSEN1 P49768 2/20 0.39
IMPDH2 P12268 2/20 0.36
TTPA P49638 1/20 0.35
KDM1A O60341 1/20 0.35
PTGS1 P23219 1/20 0.35
SNCA P37840 1/20 0.35
GSTO1 P78417 1/20 0.33

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
SCHEMBL5562750 1.00 PTPN1 (0.46) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL3132937 1.00 PTPN1 (0.46) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL3277220 0.85 PTPN1 (0.46) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL3277217 0.85 PTPN1 (0.46) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL5561100 0.85 PTPN1 (0.54) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL3144740 0.85 PTPN1 (0.54) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL5566870 0.85 PTPN1 (0.54) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL6449202 0.85 PTPN1 (0.54) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL13271762 0.85 PTPN1 (0.54) PTPN1PDE4APDE3AMEN1KMT2A
SCHEMBL3134517 0.83 MEN1 (0.43) PTPN1PDE4APDE3AMEN1KMT2A

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
EP-1562929-B1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2007-11-14 EP claimed
US-7169943-B2 Manufacture of tocopheryl acetate DSM IP ASSETS B.V. (NL) 2007-01-30 US claimed
US-20060094886-A1 Catalytic reaction of alkylation with sulfur containing compound esterification and hydrogenation after ring closure DSM IP ASSETS B.V. (NL) 2006-05-04 US claimed
US-4598160-A Intermediate phenolic compounds for the catalytic synthesis of chromans HOFFMANN-LA ROCHE INC. (US) 1986-07-01 US claimed
EP-1583753-B1 PROCESS FOR THE MANUFACTURE OF ALPHA-TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2010-07-21 EP disclosed
EP-1562929-B1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2007-11-14 EP disclosed
US-20070112206-A1 Manufacture of tocopheryl acetate BONRATH WERNER 2007-05-17 US disclosed
US-7169943-B2 Manufacture of tocopheryl acetate DSM IP ASSETS B.V. (NL) 2007-01-30 US disclosed
US-20060094886-A1 Catalytic reaction of alkylation with sulfur containing compound esterification and hydrogenation after ring closure DSM IP ASSETS B.V. (NL) 2006-05-04 US disclosed
US-4598160-A Intermediate phenolic compounds for the catalytic synthesis of chromans HOFFMANN-LA ROCHE INC. (US) 1986-07-01 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 (2 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-20070112206-A1 Manufacture of tocopheryl acetate TTPA, VKORC1L1, NR1H2 PTPN1 3831/4885PDE4A 1449/4885PDE3A 1261/4885
US-20060094886-A1 Catalytic reaction of alkylation with sulfur containing compound esterification and hydrogenation after ring closure TTPA, VKORC1L1, GSTO1 PTPN1 4558/4885PDE4A 1926/4885PDE3A 2208/4885

“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.