SCHEMBL5588070

SCHEMBL5588070

Cc1ccccc1N=C(c1ccccc1)c1cccc(C(=Nc2ccccc2C)c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.56
ESR1 P03372 2/20 0.56
SIGMAR1 Q99720 7/20 0.39
GAA P10253 1/20 0.39
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14280806 1.00 ESR2 (0.56) ESR2ESR1SIGMAR1GAAGRIN2D
SCHEMBL5588553 0.98 ESR2 (0.54) ESR2ESR1SIGMAR1GAAGRIN2D
SCHEMBL19891840 0.85 ESR2 (0.51) ESR2ESR1GAAMEN1KMT2A
SCHEMBL5590682 0.85 GRIN2D (0.39) ESR2ESR1SIGMAR1GRIN2DGRIN3B
SCHEMBL14280799 0.85 GRIN2D (0.39) ESR2ESR1SIGMAR1GRIN2DGRIN3B
SCHEMBL5587353 0.84 KMT2A (0.41) ESR2ESR1GAAALOX15TSHR
SCHEMBL19887500 0.84 KMT2A (0.41) ESR2ESR1GAAALOX15TSHR
SCHEMBL19844907 0.84 ESR2 (0.53) ESR2ESR1GAAMEN1KMT2A
SCHEMBL15275530 0.84 ESR2 (0.75) ESR2ESR1SIGMAR1GAAGRIN2D
SCHEMBL5586966 0.83 GRIN2D (0.38) ESR2ESR1SIGMAR1GRIN2DGRIN3B

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

“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.