SCHEMBL5587286

SCHEMBL5587286

COC1=C(CC(C)C)C(=O)C(=O)C(CC(C)C)=C1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CDC25A P30304 2/20 0.39
CDC25B P30305 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAP2K7 O14733 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
THPO P40225 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
SCHEMBL12986595 0.79 IDO1 (0.68) IDO1MAPTTDP1ALDH1A1CDC25A
SCHEMBL5589729 0.74 PDE2A (0.33) IDO1
SCHEMBL5587726 0.70 IDO1 (0.31) IDO1
SCHEMBL5587679 0.70 TSHR (0.32) TSHR
SCHEMBL16884398 0.68 TSHR (0.31) IDO1TSHR
SCHEMBL29157585 0.67 SORT1 (0.35) CDC25ACDC25BELANETSHR
SCHEMBL5588607 0.65 ALOX5 (0.62) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL9627601 0.65 CDC25B (0.47) MAPTTDP1ALDH1A1CDC25ACDC25B
SCHEMBL20087802 0.63 PTPN2 (0.40) IDO1CDC25BALOX15TSHR
SCHEMBL3420496 0.63 MAPT (0.58) IDO1MAPTTDP1ALDH1A1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 IDO1 425/4885MAPT 585/4885TDP1 3761/4885

“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.