SCHEMBL360371

SCHEMBL360371

OCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.63
CYP4A11 Q02928 1/20 0.63
SLC2A1 P11166 1/20 0.57
FFAR4 Q5NUL3 1/20 0.52
FFAR1 O14842 1/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
APP P05067 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
BCHE P06276 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL12296058 0.91 BCHE (0.61) CYP4F2CYP4A11MTNR1AMTNR1BKDM4E
SCHEMBL1322956 0.91 KDM4E (0.64) CYP4F2CYP4A11MTNR1AMTNR1BKDM4E
SCHEMBL19194585 0.90 LTA4H (0.64) CYP4F2CYP4A11SLC2A1FFAR4FFAR1
SCHEMBL30880065 0.89 LTA4H (0.58) CYP4F2CYP4A11SLC2A1FFAR4FFAR1
SCHEMBL21657693 0.89 LTA4H (0.58) CYP4F2CYP4A11SLC2A1FFAR4FFAR1
SCHEMBL10826260 0.87 LTA4H (0.56) CYP4F2CYP4A11SLC2A1FFAR4FFAR1
SCHEMBL584781 0.86 SLC2A1 (0.56) SLC2A1BCHEMEN1KMT2APOLB
SCHEMBL30280404 0.86 SLC2A1 (0.56) SLC2A1BCHEMEN1KMT2APOLB
SCHEMBL6813660 0.85 CYP4F2 (0.58) CYP4F2CYP4A11FFAR4FFAR1KDM4E
SCHEMBL10725217 0.85 FFAR4 (0.72) CYP4F2CYP4A11FFAR4FFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN claimed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN claimed
US-20210078932-A1 3,4-DIHYDROXYPHENETHYL 3-HYDROXYBUTANOATE, PREPARATION AND USE THEREOF CHENGDU MEDICAL COLLEGE (CN) 2021-03-18 US claimed
CN-116444569-A Triphenylhydroxytyrosol and synthesis method thereof and application of triphenylhydroxytyrosol in preparation of medicines for improving aortic endothelial cell functions 西安交通大学 2023-07-18 CN disclosed
CN-115850334-A Triphenylphosphonium-hydroxytyrosol, synthesis method thereof and application thereof in preparing drugs for inhibiting cancer cell proliferation 西安交通大学 2023-03-28 CN disclosed
CN-112521286-B Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-12-28 CN disclosed
CN-112521286-A Preparation method and application of compound 3-hydroxy-3 ', 4' -dihydroxy-butyric acid phenethyl ester 西安交通大学 2021-03-19 CN disclosed
US-20210078932-A1 3,4-DIHYDROXYPHENETHYL 3-HYDROXYBUTANOATE, PREPARATION AND USE THEREOF CHENGDU MEDICAL COLLEGE (CN) 2021-03-18 US disclosed
US-20210078932-A1 3,4-DIHYDROXYPHENETHYL 3-HYDROXYBUTANOATE, PREPARATION AND USE THEREOF CHENGDU MEDICAL COLLEGE (CN) 2021-03-18 US disclosed
US-10947179-B2 2-(3,4-dihydroxyphenyl)ethyl 3-hydroxybutanoate, composition, and method for improving function of aortic endothelial cell XI'AN JIAOTONG UNIVERSITY (CN) 2021-03-16 US disclosed
US-10947179-B2 2-(3,4-dihydroxyphenyl)ethyl 3-hydroxybutanoate, composition, and method for improving function of aortic endothelial cell XI'AN JIAOTONG UNIVERSITY (CN) 2021-03-16 US disclosed
WO-2012006783-A1 PROCESS FOR PRODUCTION OF HYDROXYTYROSOL USING ORGANOMETALLIC COMPOUNDS LONZA LTD (CH) 2012-01-19 WO disclosed
CN-101891595-A Method for preparing hydroxytyrosol UNIV SUZHOU 2010-11-24 CN disclosed
CN-101580460-A Synthesis method of 3, 4-dihydroxy phenylethanol TAIZHOU ZHIQING CHEMICAL CO LT (CN) 2009-11-18 CN disclosed
US-20050154058-A1 Method of preparing hydroxytyrosol esters, esters thus obtained and use of same UNIVERSIDAD DE SEVILLA (ES) 2005-07-14 US disclosed
EP-1541544-A1 METHOD OF PREPARING HYDROXYTYROSOL ESTERS, ESTERS THUS OBTAINED AND USE OF SAME CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-06-15 EP disclosed
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 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 (3 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-20050154058-A1 Method of preparing hydroxytyrosol esters, esters thus obtained and use of same HAAO, ACSL3, HACL2 CYP4F2 2963/4885CYP4A11 327/4885SLC2A1 4154/4885
US-10947179-B2 2-(3,4-dihydroxyphenyl)ethyl 3-hydroxybutanoate, composition, and method for improving function of aortic endothelial cell TFAM, MAVS, ACADVL CYP4F2 1651/4885CYP4A11 723/4885SLC2A1 2225/4885
US-20210078932-A1 3,4-DIHYDROXYPHENETHYL 3-HYDROXYBUTANOATE, PREPARATION AND USE THEREOF HTR3B, HSD3B1, HTR3C CYP4F2 147/4885CYP4A11 53/4885SLC2A1 2055/4885

“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.