SCHEMBL5587070

SCHEMBL5587070

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL19067950 1.00 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL19067858 0.81 MEN1 (0.47) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL19067952 0.81 GABRA1 (0.41) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5590193 0.81 GABRA1 (0.41) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5587095 0.79 TRPA1 (0.40) SCN5ASCN2AKDM4EMEN1GAA
SCHEMBL7646738 0.77 SIGMAR1 (0.54) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL22428393 0.77 SIGMAR1 (0.54) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL7646734 0.77 SIGMAR1 (0.54) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5587466 0.77 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587467 0.77 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 SIGMAR1 1143/4885NOS3 1915/4885NOS1 1867/4885

“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.