SCHEMBL6333531

SCHEMBL6333531

O=CC(=Cc1ccc(OCc2ccccc2)cc1)C(C=O)=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
GSK3B P49841 2/20 0.57
BACE1 P56817 2/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54

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
SCHEMBL6333529 1.00 NR1H4 (0.58) NR1H4GSK3BBACE1KDM4EGAA
SCHEMBL6410992 0.84 RXRA (0.55) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL6336424 0.84 NR4A2 (0.55) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6331441 0.84 NPC1 (0.55) GSK3BBACE1MAPTNPC1RAB9A
SCHEMBL6331444 0.84 NPC1 (0.55) GSK3BBACE1MAPTNPC1RAB9A
SCHEMBL7006849 0.84 NR1H4 (0.59) NR1H4GSK3BBACE1KDM4EGAA
SCHEMBL6336427 0.84 NR4A2 (0.55) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6410996 0.84 RXRA (0.55) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL27555937 0.84 NR1H4 (0.59) NR1H4GSK3BBACE1KDM4EGAA
SCHEMBL7228423 0.83 NR1H4 (0.58) NR1H4GSK3BBACE1KDM4EGAA

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-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-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 NR1H4 3638/4885GSK3B 301/4885BACE1 1870/4885

“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.