SCHEMBL2010713

SCHEMBL2010713

NC(=O)COCCOCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 3/20 0.37
THPO P40225 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL6668639 0.97 CES2 (0.36) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL22325195 0.97 CES2 (0.36) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL30661132 0.97 CES2 (0.36) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL6712841 0.97 CES2 (0.36) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL19559720 0.89 THPO (0.43) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL5912638 0.89
SCHEMBL31017273 0.88 CES2 (0.44) CES2ALDH1A1KDM4ETP53LMNA
SCHEMBL24654356 0.87
SCHEMBL2293384 0.87 CES2 (0.40) CES2ALDH1A1HSD17B10ALOX15CYP3A4
SCHEMBL1477867 0.87

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
US-20080260653-A1 Transdermal Delivery Systems and Transdermal Chelation Preparations BUTTAR RASHID A 2008-10-23 US claimed
US-20080255346-A1 Ratiometric fluorescent chemosensor for selective detection of Hg (II) ions CHUNG-ANG UNIVERSITY INDUSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2008-10-16 US claimed
EP-1734978-A2 TISSUE DETOXIFICATION AND HEALTH SUPPLEMENTS AND METHODS OF MAKING AND USING THEM Takemoto, Arnold C. (US) 2006-12-27 EP claimed
WO-2005107723-A2 TRANSDERMAL DELIVERY SYSTEMS AND TRANSDERMAL CHELATION PREPARATIONS BUTTAR RASHID (US) 2005-11-17 WO claimed
WO-2005089412-A2 TISSUE DETOXIFICATION AND HEALTH SUPPLEMENTS AND METHODS OF MAKING AND USING THEM TAKEMOTO ARNOLD C (US) 2005-09-29 WO claimed
US-20050208118-A1 Preparations of encapsulated bioavailable chelating agents for detoxifying humans and animals TAKEMOTO ARNOLD C 2005-09-22 US claimed
US-20050208119-A1 Encapsulated oral chelating preparations TAKEMOTO ARNOLD C 2005-09-22 US claimed
US-5837202-A METAL CHELATES AS DETECTORS FOR FLUORESCENCE WITH LIPIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-17 US claimed
US-5616790-A FLUORESCENT CHELATE COMPOUND AS METAL ION DETECTOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-04-01 US claimed
CN-113167759-B Device for quantitatively measuring concentration of cationic electrolyte and concentration of creatinine and proportion of concentration of creatinine 阳森特技术股份有限公司 2024-12-31 CN disclosed
US-20230033248-A1 COMPOSITIONS AND METHODS FOR ENHANCED DECONTAMINATION PARVINI AMIR REZA SALAR (US) 2023-02-02 US disclosed
US-20220178868-A1 MEANS FOR THE QUANTITATIVE DETERMINATION OF CATIONIC ELECTROLYTE CONCENTRATION AND CREATININE CONCENTRATION AND OF THEIR RATIOS IONSENT TECHNOLOGIES GMBH (AT) 2022-06-09 US disclosed
EP-3857216-A1 MEANS FOR THE QUANTITATIVE DETERMINATION OF CATIONIC ELECTROLYTE CONCENTRATION AND CREATININE CONCENTRATION AND OF THEIR RATIOS UriSalt GmbH (AT) 2021-08-04 EP disclosed
CN-113167759-A Device for quantitatively determining concentration and proportion of cation electrolyte and creatinine 尤里塞尔股份有限公司 2021-07-23 CN disclosed
US-20050209551-A1 Detoxification and breast health preparations TAKEMOTO ARNOLD C 2005-09-22 US disclosed
US-20050208118-A1 Preparations of encapsulated bioavailable chelating agents for detoxifying humans and animals TAKEMOTO ARNOLD C 2005-09-22 US disclosed
WO-2004105685-A2 DISPLACEABLE LINKER SOLID PHASE CHEMICAL LIGATION GRYPHON THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-5837202-A METAL CHELATES AS DETECTORS FOR FLUORESCENCE WITH LIPIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-17 US disclosed
US-5616790-A FLUORESCENT CHELATE COMPOUND AS METAL ION DETECTOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-04-01 US disclosed
WO-1996016327-A1 FLUORESCENT METAL-CHELATING AMPHIPHILE AND SENSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1996-05-30 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 (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-20080255346-A1 Ratiometric fluorescent chemosensor for selective detection of Hg (II) ions TRPA1, TRPM2, GRIA1 CES2 1577/4885ALDH1A1 2063/4885KDM4E 4206/4885

“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.