Butyl Caffeate

Butyl Caffeate

SCHEMBL1879822

CCCCOC(=O)/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
APP P05067 12/20 1.00
TTR P02766 3/20 0.74
DPP4 P27487 1/20 0.74
IAPP P10997 1/20 0.65
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALOX12 P18054 2/20 0.64
MAPK1 P28482 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
AKR1B10 O60218 1/20 0.64
GMNN O75496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
EGFR P00533 1/20 0.64
LMNA P02545 1/20 0.64
ESR1 P03372 1/20 0.64
ERBB2 P04626 1/20 0.64
LCK P06239 1/20 0.64
FYN P06241 1/20 0.64

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
Butyl Caffeate SCHEMBL1879823 1.00 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL28418063 0.96 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL7953562 0.96 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL1427294 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL883450 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL19359050 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL19358979 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL19358968 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL16428904 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4
SCHEMBL1427296 0.94 APP (1.00) APPTTRDPP4IAPPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481658-A Nano electrostatic spinning food preservative film mediated by butyl caffeate and endogenous NO type chitosan and preparation method and application thereof 浙江工商大学 2021-10-08 CN claimed
CN-104365598-B Caffeic acid and the application of Arrcostab in bacterial wilt control thereof JIANGSU UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-30 CN claimed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US claimed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US claimed
CN-103173502-A Biosynthesis method of caffeic acid phenethylester by means of transesterification UNIV JIANGSU SCIENCE & TECH 2013-06-26 CN claimed
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP claimed
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-01-14 US claimed
EP-2061452-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES Piramal Life Sciences Limited (IN) 2009-05-27 EP claimed
WO-2008026125-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-06 WO claimed
CN-117265775-A Nanofiber preservative film, preparation method thereof and application thereof in antibacterial or ethylene degradation 华南农业大学 2023-12-22 CN disclosed
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed
CN-114894735-A Method for rapidly screening silkworm feeding modifier for producing functional silk 浙江理工大学 2022-08-12 CN disclosed
CN-111296445-B Laurella solanacearum targeted nano medicament and preparation method and application thereof 江苏科技大学 2022-03-11 CN disclosed
CN-113481658-A Nano electrostatic spinning food preservative film mediated by butyl caffeate and endogenous NO type chitosan and preparation method and application thereof 浙江工商大学 2021-10-08 CN disclosed
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-01-14 US disclosed
EP-2061452-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES Piramal Life Sciences Limited (IN) 2009-05-27 EP disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
WO-2008026125-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-06 WO disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP 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 (5 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA APP 281/4885TTR 3961/4885DPP4 3620/4885
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES ABL1, MCL1, SRC APP 4524/4885TTR 2069/4885DPP4 2001/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 APP 3114/4885TTR 1663/4885DPP4 969/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 APP 3114/4885TTR 1663/4885DPP4 969/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA APP 281/4885TTR 3961/4885DPP4 3620/4885

“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.