SCHEMBL5587486

SCHEMBL5587486

CC(C)C1=CC(=O)C(=O)C(C(C)C)=C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
EEF2K O00418 1/20 0.41
PLK1 P53350 1/20 0.41
PLK2 Q9NYY3 1/20 0.41
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CES1 P23141 2/20 0.35
HIF1A Q16665 3/20 0.34
EPAS1 Q99814 3/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
PTPRC P08575 1/20 0.31
IDO1 P14902 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL12792917 0.78 KDM4E (0.41) PTPN1EEF2KPLK1PLK2KDM4E
SCHEMBL11738492 0.76 EEF2K (0.41) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL17935505 0.69 CDC25A (0.45) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL754972 0.69 CDC25A (0.45) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL11602759 0.68 PLK1 (0.75) PTPN1EEF2KPLK1PLK2CDC25A
Water SCHEMBL28969836 0.67 CDC25A (0.43) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL18992936 0.67 EEF2K (0.52) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL13986038 0.65 CDC25A (0.38) PTPN1EEF2KPLK1PLK2CDC25A
SCHEMBL12792912 0.65 EEF2K (0.34) PTPN1EEF2KPLK1PLK2
SCHEMBL6888742 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053468-A PROCESS FOR PREPARING 7-OXO CEPHALOSPORINS AND 6-OXO PENICILLINS SMITHKLINE CORPORATION (US) 1977-10-11 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
US-4988754-A Linear alternating copolymer of carbon monoxide, ethylene and an unsaturated olefin monomer with a stabilizing alkylated ben zoquinone SHELL OIL COMPANY (US) 1991-01-29 US disclosed
EP-0096392-B1 NOVEL AMINOGLYCOSIDES, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF KOWA COMPANY, LTD. (JP) 1985-10-09 EP disclosed
US-4486418-A ANTIBIOTICS KOWA COMPANY, LTD. (JP) 1984-12-04 US disclosed
EP-0096392-A1 Novel aminoglycosides, process for production thereof and use thereof KOWA COMPANY, LTD. (JP) 1983-12-21 EP disclosed
US-4053468-A PROCESS FOR PREPARING 7-OXO CEPHALOSPORINS AND 6-OXO PENICILLINS SMITHKLINE CORPORATION (US) 1977-10-11 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PTPN1 4679/4885EEF2K 2779/4885PLK1 922/4885

“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.