SCHEMBL5589508

SCHEMBL5589508

CC(C=Nc1c(C)cccc1C)=Nc1c(C)cccc1C.[Ni]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL5588562 0.98 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5589014 0.85 GABRA1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5588029 0.83 GABRA1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5693662 0.77 AHR (0.31) —
SCHEMBL5693709 0.77 — —
SCHEMBL5588010 0.74 SIGMAR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5587651 0.73 GABRA1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5354754 0.72 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4351696 0.72 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10807165 0.72 SIGMAR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 — — US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 — — EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 — — US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 — — EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 — — WO 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
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 GRIN2D 1282/4885GRIN3B 1118/4885GRIN1 510/4885

“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.

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