SCHEMBL5589081

SCHEMBL5589081

CC(=Nc1ccc(C)cc1C(C)C)c1ncnc(C(C)=Nc2ccc(C)cc2C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
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
SCN5A Q14524 1/20 0.30
SCN2A Q99250 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
SCHEMBL5587414 0.84 TRPA1 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5588573 0.82 MAPT (0.44) LMNASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL5589848 0.81 SIGMAR1 (0.43) LMNASLC6A2HTR2BHPGDSCN5A
SCHEMBL5589300 0.81
SCHEMBL16077922 0.81 SIGMAR1 (0.43) LMNASLC6A2HTR2BHPGDSCN5A
SCHEMBL5588276 0.78 TRPA1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587396 0.77 TRPA1 (0.37) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5589172 0.77 TRPA1 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587365 0.75 TRPA1 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5587095 0.75 TRPA1 (0.40) 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.