Caffeoyl Aldehyde

Caffeoyl Aldehyde

SCHEMBL563358

O=C/C=C/c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 1.00
LCK P06239 4/20 0.67
KDM4E B2RXH2 5/20 0.61
RAB9A P51151 2/20 0.61
PTGS2 P35354 1/20 0.61
EGFR P00533 2/20 0.60
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
NQO2 P16083 1/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
TTR P02766 2/20 0.57
POLB P06746 2/20 0.57
MMP2 P08253 2/20 0.57
ALOX5 P09917 2/20 0.57
THRB P10828 2/20 0.57
MMP9 P14780 2/20 0.57
HPGD P15428 2/20 0.57

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
Caffeoyl Aldehyde SCHEMBL663936 1.00 XDH (1.00) XDHLCKKDM4ERAB9APTGS2
Caffeoyl Aldehyde SCHEMBL30610040 1.00 XDH (1.00) XDHLCKKDM4ERAB9APTGS2
Caffeoyl Aldehyde SCHEMBL15861833 0.98 XDH (0.96) XDHLCKKDM4ERAB9APTGS2
SCHEMBL19473606 0.82 XDH (0.69) XDHLCKKDM4ERAB9APTGS2
SCHEMBL14143630 0.82 XDH (0.69) XDHLCKKDM4ERAB9APTGS2
SCHEMBL14087957 0.82 XDH (0.69) XDHLCKKDM4ERAB9APTGS2
SCHEMBL31706727 0.81 LCK (1.00) XDHLCKKDM4ERAB9APTGS2
SCHEMBL30631591 0.81 LCK (1.00) XDHLCKKDM4ERAB9APTGS2
SCHEMBL1824175 0.81 LCK (1.00) XDHLCKKDM4ERAB9APTGS2
SCHEMBL1824176 0.81 LCK (1.00) XDHLCKKDM4ERAB9APTGS2

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 217 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752212-B 9-decarboxylated rosmarinic acid analogue and synthetic method and application thereof 北京大学 2024-03-12 CN claimed
CN-117659104-A Degradable Schiff base antifouling agent containing polyphenol structure and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-03-08 CN claimed
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP claimed
CN-115711902-A qNMR determination method of coffee total diterpene and application thereof 中国科学院昆明植物研究所 2023-02-24 CN claimed
CN-115322182-A Azole antifungal compound and application thereof 广西医科大学 2022-11-11 CN claimed
CN-108774274-B Sialylmethyl ester methyl glycoside derivative and synthesis method and application thereof 北京大学 2020-11-03 CN claimed
CN-108774274-A Sialic acid methyl esters first glycoside derivates and its synthetic method and application 北京大学 2018-11-09 CN claimed
CN-108752212-A 9- decarboxylation Rosmarinic acid analogs and its synthetic method and application 北京大学 2018-11-06 CN claimed
CN-105985389-A Phenylethanoid glycoside analogue and synthesis method and application thereof 北京大学 2016-10-05 CN claimed
US-20090324750-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN EXTRACT OF PSEUDOLYSIMACHION LONGIFOLIUM AND THE CATALPOL DERIVATIVES ISOLATED THEREFROM HAVING ANTIINFLAMMATORY, ANTIALLERGIC AND ANTIASTHMATIC ACTIVITY KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-31 US claimed
US-6303567-B1 FOR DIAGNOSIS AND THERAPY OF AMYLOIDOGENIC DISEASES SUCH AS ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC . 2001-10-16 US claimed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
CN-1038327-C Process for preparation of cephalosporin derivative PFIZER (US) 1998-05-13 CN claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
US-5504076-A Cephalosporin compounds PFIZER INC. (US) 1996-04-02 US claimed
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 US claimed
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 EP claimed

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-20090324750-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN EXTRACT OF PSEUDOLYSIMACHION LONGIFOLIUM AND THE CATALPOL DERIVATIVES ISOLATED THEREFROM HAVING ANTIINFLAMMATORY, ANTIALLERGIC AND ANTIASTHMATIC ACTIVITY IL4, IL5, MMP13 XDH 4207/4885LCK 908/4885KDM4E 1093/4885

“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.