SCHEMBL6333729

SCHEMBL6333729

O=CC(=C/c1ccc(Cl)cc1)/C(C=O)=C\c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.54
▸ FBP1 P09467 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GRIK1 P39086 1/20 0.40

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
SCHEMBL6333730 1.00 HSD17B10 (0.54) HSD17B10FBP1CYP1A2CYP2C9TRPA1
SCHEMBL6336424 0.80 NR4A2 (0.55) ALDH1A1LMNAMAOB
SCHEMBL6336427 0.80 NR4A2 (0.55) ALDH1A1LMNAMAOB
SCHEMBL10922530 0.79 HSD17B10 (0.52) HSD17B10FBP1CYP1A2CYP2C9TRPA1
SCHEMBL10587628 0.79 HSD17B10 (0.52) HSD17B10FBP1CYP1A2CYP2C9TRPA1
SCHEMBL10587631 0.79 HSD17B10 (0.52) HSD17B10FBP1CYP1A2CYP2C9TRPA1
SCHEMBL6329475 0.78 ALDH5A1 (0.56) CYP2C9PTGS2ALDH1A1
SCHEMBL6329472 0.78 ALDH5A1 (0.56) CYP2C9PTGS2ALDH1A1
SCHEMBL18345496 0.77 HSD17B10 (0.50) HSD17B10FBP1CYP1A2CYP2C9TRPA1
SCHEMBL9782852 0.77 ALDH1A1 (0.63) HSD17B10FBP1CYP1A2CYP2C9TRPA1

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-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 HSD17B10 708/4885FBP1 3041/4885CYP1A2 707/4885

“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.

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