SCHEMBL5587376

SCHEMBL5587376

CCCCOC1=C(C(C)(C)C)C(=O)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 3/20 0.35
MCL1 Q07820 1/20 0.35
CES2 O00748 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CES1 P23141 1/20 0.33
MPI P34949 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 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
SCHEMBL5589037 0.92 ATM (0.36) ALDH1A1MAPTATMMCL1CES2
SCHEMBL5590667 0.85 ALDH1A1 (0.39) ALDH1A1MAPTATMMCL1CES2
SCHEMBL5587549 0.75 PTPN1 (0.38) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL16104561 0.71 ATM (0.38) ALDH1A1MAPTATMMCL1CES2
SCHEMBL16104563 0.66 ATM (0.37) ALDH1A1MAPTATMMCL1CES2
SCHEMBL5588449 0.64 KMT2A (0.37) TSHRCA12CA1CA2CA7
SCHEMBL5588130 0.64 ATM (0.46) ALDH1A1MAPTATMMCL1CES2
SCHEMBL5587683 0.62 CA12 (0.40) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL16104562 0.61 ATM (0.35) ALDH1A1MAPTATMMCL1CES2
SCHEMBL5588503 0.59 CA12 (0.31) ALDH1A1MAPTTSHRCA12CA1

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 5 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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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 ALDH1A1 2181/4885MAPT 585/4885ATM 3933/4885

“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.