SCHEMBL5589172

SCHEMBL5589172

CC(=Nc1ccc(C)cc1C(C)C)c1cncc(C(C)=Nc2ccc(C)cc2C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL5588276 0.87 TRPA1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587396 0.86 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587681 0.82 MAPT (0.44) LMNAMEN1NPC1MAPTRAB9A
SCHEMBL5587680 0.82 MAPT (0.44) LMNAMEN1NPC1MAPTRAB9A
SCHEMBL5587460 0.81 TRPA1 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5586947 0.81 SIGMAR1 (0.43) LMNASLC6A2HTR2BSCN5ASCN2A
SCHEMBL7056727 0.80 TRPA1 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587414 0.79 TRPA1 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5693813 0.77 SMN1; SMN2 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5589081 0.77 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A

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 TRPA1 1912/4885LMNA 178/4885CHRM1 163/4885

“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.