SCHEMBL6332996

SCHEMBL6332996

Cc1ccc(/C=C(C=O)\C(C=O)=C/c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.54
▸ PTGS2 P35354 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.38

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
SCHEMBL6332998 1.00 CYP2A6 (0.54) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL2940976 0.79 ALDH1A1 (0.65) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL2815007 0.79 ALDH1A1 (0.65) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL6329475 0.78 ALDH5A1 (0.56) PTGS2MAPTALDH1A1HPGDMEN1
SCHEMBL6329472 0.78 ALDH5A1 (0.56) PTGS2MAPTALDH1A1HPGDMEN1
SCHEMBL28470407 0.77 CYP2A6 (0.50) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL30873529 0.77 NQO2 (0.53) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL28470411 0.77 CYP2A6 (0.50) CYP2A6PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL6333730 0.76 HSD17B10 (0.54) CYP2A6PTGS2ALDH1A1AKR1C3HTT
SCHEMBL6333729 0.76 HSD17B10 (0.54) CYP2A6PTGS2ALDH1A1AKR1C3HTT

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 2 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 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 CYP2A6 1500/4885PTGS2 263/4885SMN1; SMN2 4338/4885

“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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