SCHEMBL3668882

SCHEMBL3668882

COC(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.72
ALDH1A1 P00352 3/20 0.72
GFER P55789 1/20 0.72
YWHAG P61981 1/20 0.62
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.60
TSHR P16473 3/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 2/20 0.60
BLM P54132 2/20 0.60
HIF1A Q16665 2/20 0.60
HSD17B10 Q99714 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
RGS12 O14924 1/20 0.60
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
THPO P40225 1/20 0.60
GNAI1 P63096 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL29446278 1.00 GAA (0.72) GAAALDH1A1GFERYWHAGMAPT
Methyl Alcohol SCHEMBL27946196 0.98 GAA (0.70) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL14768426 0.87 GAA (0.70) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL334348 0.85 GAA (0.63) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL30096935 0.85 GAA (0.68) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL2127019 0.85 GAA (0.68) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL8145260 0.85 ALDH1A1 (0.68) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL8146212 0.85 GAA (0.63) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL14531746 0.84 GAA (0.61) GAAALDH1A1GFERYWHAGMAPT
SCHEMBL2981679 0.84 GAA (0.61) GAAALDH1A1GFERYWHAGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388369-A Polyphenol modified polyurethane chain extender, photo-thermal polyurethane material, and preparation methods and applications thereof 北京化工大学 2024-07-26 CN claimed
CN-110128246-B Preparation method of hydroxytyrosol 杭州志源生物科技有限公司 2022-07-26 CN claimed
CN-112447316-A Halogen-free flame-retardant insulated wire and halogen-free flame-retardant cable 日立金属株式会社 2021-03-05 CN claimed
CN-110128246-A A kind of preparation method of hydroxytyrosol 杭州志源生物科技有限公司 2019-08-16 CN claimed
CN-101497567-B Preparation of caffeic acid 3,4-dihydroxyphenyl ethyl ester and its derivative phenyl acrylic acid phenyl alkyl ester compound ZHIZHEN ZHANG 2012-07-25 CN claimed
CN-101497567-A Preparation of 3-(3,4-dihydroxyphenyl)-acrylic acid 2-(3,4-dihydroxyphenyl)-ethyl ester and derivative phenyl acrylic acid phenyl alkyl ester compound ZHIZHEN ZHANG (CN) 2009-08-05 CN claimed
WO-2007009590-A1 PROCESS FOR THE PREPARATION OF PHENOLIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2007-01-25 WO claimed
US-7125986-B2 Penicillanic acid derivative compounds and methods of making SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2006-10-24 US claimed
US-20040220399-A1 Penicillanic acid derivative compounds and methods of making RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-11-04 US claimed
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases ALAMX L.L.C. 2003-11-20 US claimed
JP-2002542249-A 2002-12-10 JP claimed
US-6436398-B2 ADMINISTERING A BETA-LACTAM ANTIBIOTIC WITH A BETA-LACTAMASE INHIBITING COMPOUND SUCH AS BENZHYDRYL 2-BETA-(CHLOROACETOXY-METHYL)-6-((Z)-(TERT-BUTOXYCARBONYL)METHYLENE) PENICILLINATE TO TREAT BETA-LACTAM RESISTANT BACTERIAL INFECTIONS RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-08-20 US claimed
US-6407091-B1 CEPHALOSPORIN DERIVATIVES; TREATING MICROBIAL AND ANTIBIOTIC RESISTANCE RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-06-18 US claimed
EP-0966471-B1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS RES CORP TECHNOLOGIES INC (US) 2002-06-12 EP claimed
EP-1169323-A1 BETA-LACTAMASE INHIBITING COMPOUNDS Research Corporation Technologies, Inc (US) 2002-01-09 EP claimed
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. 2001-09-13 US claimed
US-6156745-A 2β-substituted-6-alkylidene penicillanic acid derivatives as β-lactamase inhibitors RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-12-05 US claimed
WO-2000063213-A1 BETA-LACTAMASE INHIBITING COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-10-26 WO claimed
EP-0966471-A1 2-BETA-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS BETA-LACTAMASE INHIBITORS Research Corporation Technologies, Inc (US) 1999-12-29 EP claimed
WO-1999033838-A1 2-β-SUBSTITUTED-6-ALKYLIDENE PENICILLANIC ACID DERIVATIVES AS β-LACTAMASE INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-07-08 WO 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 (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-20040220399-A1 Penicillanic acid derivative compounds and methods of making MRPL21, CYP51A1, RPIA GAA 135/4885ALDH1A1 79/4885GFER 752/4885
US-20030216372-A1 Inhibitors of serine and metallo-beta-lactamases SRR, BACE1, PRSS1 GAA 93/4885ALDH1A1 471/4885GFER 361/4885
US-20010021706-A1 2 beta-substituted-6-alkylidene penicillanic acid derivatives as beta-lactamase inhibitors IDUA, NAALAD2, GLA GAA 36/4885ALDH1A1 88/4885GFER 820/4885

“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.