Methylcaffeate

Methylcaffeate

SCHEMBL817520

COC(=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 6/20 1.00
TTR P02766 4/20 1.00
PTPN1 P18031 3/20 0.93
EPHX2 P34913 1/20 0.73
DPP4 P27487 2/20 0.69
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA14 Q9ULX7 2/20 0.66
IAPP P10997 2/20 0.66
PTGS1 P23219 1/20 0.66
TYR P14679 1/20 0.66
HSD17B10 Q99714 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
MMP1 P03956 2/20 0.62
MMP2 P08253 2/20 0.62
MMP9 P14780 2/20 0.62

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
Methylcaffeate SCHEMBL30963730 1.00 APP (1.00) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL198252 1.00 APP (1.00) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL30637688 1.00 APP (1.00) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL669440 0.94 APP (0.88) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL28177340 0.92 APP (0.85) APPTTRPTPN1EPHX2DPP4
SCHEMBL30528020 0.88 TTR (0.79) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL887921 0.87 APP (0.76) APPTTRPTPN1EPHX2DPP4
Methylcaffeate SCHEMBL30604508 0.87 APP (0.76) APPTTRPTPN1EPHX2DPP4
SCHEMBL12246161 0.86 APP (0.76) APPTTRPTPN1EPHX2DPP4
SCHEMBL9120636 0.86 APP (0.76) APPTTRPTPN1EPHX2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677647-A Beta-bis-dioxolane anabasinic acid, preparation method and pharmaceutical application thereof 吉林大学 2023-02-03 CN claimed
US-9611255-B2 Process for total synthesis of flavonoid compounds and isomers thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-04-04 US claimed
US-20160362401-A1 PROCESS FOR TOTAL SYNTHESIS OF FLAVONOID COMPOUNDS AND ISOMERS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-12-15 US 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
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP claimed
CN-101774918-A Preparation method of cinnamate derivates UNIV HUAQIAO 2010-07-14 CN 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
EP-0374184-B1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE MEDICINE (US) 1994-01-12 EP claimed
US-5216024-A Compounds such as methyl p-hydroxypenyllactate, derivatives BAYLOR COLLEGE OF MEDICINE (US) 1993-06-01 US claimed
WO-1993001824-A1 COMBINATION THERAPY USING BIOFLAVONOID COMPOUNDS WITH ANTI-CANCER DRUGS BAYLOR COLLEGE OF MEDICINE (US) 1993-02-04 WO claimed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP claimed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 WO claimed
CN-114910586-B Method for determining caffeic acid and its derivatives content in Monascus purpureus extract 上海医药工业研究院有限公司 2024-04-05 CN disclosed
CN-117581873-A Application of cinnamic acid derivative in preventing and treating bacterial perforin disease of peach 广西特色作物研究院 2024-02-23 CN disclosed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO disclosed
EP-0374184-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES. BAYLOR COLLEGE MEDICINE (US) 1990-06-27 EP disclosed
WO-1989000849-A1 CELL GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1989-02-09 WO 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 (4 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-20160362401-A1 PROCESS FOR TOTAL SYNTHESIS OF FLAVONOID COMPOUNDS AND ISOMERS THEREOF UGT1A3, F3, UGGT1 APP 3980/4885TTR 1911/4885PTPN1 4531/4885
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES ABL1, MCL1, SRC APP 4524/4885TTR 2069/4885PTPN1 53/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 APP 3114/4885TTR 1663/4885PTPN1 4797/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 APP 3114/4885TTR 1663/4885PTPN1 4797/4885

“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.