SCHEMBL5587467

SCHEMBL5587467

CC(=Nc1ccccc1C)c1ccc(C(C)=Nc2ccccc2C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
ESR2 Q92731 2/20 0.44
ESR1 P03372 1/20 0.44
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 2/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
EBP Q15125 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 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
SCHEMBL5587466 1.00 SIGMAR1 (0.47) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5588849 0.78 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5588851 0.78 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19067949 0.78 GRIN2D (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5589348 0.78 MAPT (0.54) SIGMAR1MEN1KMT2ATSHRALOX15
SCHEMBL5589351 0.78 MAPT (0.54) SIGMAR1MEN1KMT2ATSHRALOX15
SCHEMBL19067950 0.77 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587070 0.77 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20860406 0.76 SIGMAR1 (0.55) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL19486201 0.76 ESR2 (0.52) SIGMAR1ESR2ESR1GRIN2DGRIN3B

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 SIGMAR1 1143/4885ESR2 2269/4885ESR1 1108/4885

“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.