SCHEMBL6333085

SCHEMBL6333085

CCCOc1ccc(C=C(C=O)C(C=O)=Cc2ccc(OCCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
LTA4H P09960 1/20 0.47
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLK1 P53350 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL6333082 1.00 MEN1 (0.60) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL6331227 0.81 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6331225 0.81 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL14134159 0.80 ALDH1A1 (0.68) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL541949 0.80 ALDH1A1 (0.68) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL20162273 0.79 MEN1 (0.51) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL17080933 0.79 MEN1 (0.59) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL8865062 0.77 AKR1C3 (0.53) MEN1KMT2APTGS1PTGS2ABCG2
SCHEMBL8865077 0.77 AKR1C3 (0.53) MEN1KMT2APTGS1PTGS2ABCG2
Benzene SCHEMBL28241675 0.77 ALDH1A1 (0.64) MEN1KMT2APTGS1PTGS2ABCG2

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 MEN1 862/4885KMT2A 509/4885PTGS1 271/4885

“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.