SCHEMBL6081665

SCHEMBL6081665

[N-]=[N+]=CC(=O)OCC=Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CACNA1B Q00975 2/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.38
HDAC2 Q92769 2/20 0.36
MAOB P27338 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6081661 1.00 CYP1A2 (0.41) CYP1A2CACNA1BGRIK1GRIK2GRIK3
SCHEMBL6081419 0.85 GRIK1 (0.39) CYP1A2CACNA1BGRIK1GRIK2USP2
SCHEMBL6081415 0.85 GRIK1 (0.39) CYP1A2CACNA1BGRIK1GRIK2USP2
SCHEMBL7401444 0.85 MMP1 (0.48) CYP1A2CACNA1BLMNAMAOBALDH1A1
SCHEMBL1943065 0.85 MMP1 (0.48) CYP1A2CACNA1BLMNAMAOBALDH1A1
SCHEMBL1943066 0.85 MMP1 (0.48) CYP1A2CACNA1BLMNAMAOBALDH1A1
SCHEMBL6081555 0.83 GSK3B (0.48) CYP1A2GRIK1GRIK2MEN1LMNA
SCHEMBL6081562 0.83 GSK3B (0.48) CYP1A2GRIK1GRIK2MEN1LMNA
SCHEMBL6080800 0.82 CYP1A2 (0.45) CYP1A2GRIK1GRIK2HDAC2MAOB
SCHEMBL6080803 0.82 CYP1A2 (0.45) CYP1A2GRIK1GRIK2HDAC2MAOB

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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US claimed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG CYP1A2 724/4885CACNA1B 2072/4885GRIK1 2986/4885

“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.