SCHEMBL5590407

SCHEMBL5590407

CCc1cccc(CC)c1N=C(C)c1cccc(C(C)=Nc2c(CC)cccc2CC)n1.[Co]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL4883854 0.98 GABRA1 (0.43) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL4883849 0.98 GABRA1 (0.43) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7175505 0.97 GABRA1 (0.42) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7174457 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7171333 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7183844 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7178859 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7179429 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7177025 0.95 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL4535319 0.92 CYP1A2 (0.40) GABRA1GABRB2CYP1A2KDM4EALOX15

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 2 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
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 GABRA1 3688/4885GABRB2 3686/4885CYP1A2 2390/4885

“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.