SCHEMBL6329472

SCHEMBL6329472

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.56
▸ ABAT P80404 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.50
▸ ESR1 P03372 4/20 0.50
▸ ESR2 Q92731 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 2/20 0.48
▸ CISD1 Q9NZ45 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NQO2 P16083 2/20 0.44
▸ SLC16A3 O15427 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SLC16A1 P53985 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ F3 P13726 1/20 0.43

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
SCHEMBL6329475 1.00 ALDH5A1 (0.56) ALDH5A1ABATALDH1A1ESR1ESR2
SCHEMBL6332996 0.78 CYP2A6 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6332998 0.78 CYP2A6 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6333729 0.78 HSD17B10 (0.54) ALDH1A1CYP2C9PTGS2
SCHEMBL6333730 0.78 HSD17B10 (0.54) ALDH1A1CYP2C9PTGS2
SCHEMBL19458752 0.78 ALDH5A1 (0.54) ALDH5A1ABATALDH1A1ESR1ESR2
SCHEMBL6331873 0.77 ALDH1A1 (0.60) ALDH1A1ESR1MAPTCYP3A4CYP2D6
SCHEMBL6331875 0.77 ALDH1A1 (0.60) ALDH1A1ESR1MAPTCYP3A4CYP2D6
SCHEMBL10952638 0.75 NQO2 (0.75) ALDH5A1ABATALDH1A1ESR1ESR2
SCHEMBL6337917 0.73 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTTHRBNQO2

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 ALDH5A1 59/4885ABAT 1660/4885ALDH1A1 125/4885

“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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