SCHEMBL6329533

SCHEMBL6329533

O=CC(=Cc1ccccc1F)C(C=O)=Cc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.50
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
ERN1 O75460 1/20 0.45
TRPA1 O75762 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
MAOB P27338 1/20 0.40
IKBKB O14920 1/20 0.39
RAF1 P04049 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6329529 1.00 NFE2L2 (0.50) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28178629 0.79 ALDH1A1 (0.53) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5203307 0.79 ALDH1A1 (0.53) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14176101 0.75 NFE2L2 (0.42) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30138202 0.75 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13615662 0.75 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6332983 0.74 HSD11B1 (0.48) IKBKBDYRK2
SCHEMBL6332503 0.74 TRPA1 (0.52) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6332502 0.74 TRPA1 (0.52) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6332982 0.74 HSD11B1 (0.48) IKBKBDYRK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949682-B2 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-09-27 US claimed
US-20040254196-A1 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-12-16 US claimed
US-6949682-B2 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-09-27 US disclosed
US-20040254196-A1 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2004-12-16 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-20040254196-A1 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof CCNI, CDC25C, CDC25B NFE2L2 103/4885CYP1A2 707/4885CYP3A4 1777/4885

“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.