SCHEMBL1054440

SCHEMBL1054440

COC(=O)C(Br)=C(Br)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TET2 Q6N021 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TSHR P16473 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NFKB1 P19838 1/20 0.32
TGFBR1 P36897 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1054996 1.00 ALDH1A1 (0.45) ALDH1A1TET2EGLN1TSHRKEAP1
SCHEMBL1164025 1.00 ALDH1A1 (0.45) ALDH1A1TET2EGLN1TSHRKEAP1
SCHEMBL26039766 0.84
SCHEMBL10644664 0.84
SCHEMBL15133568 0.82 ALDH1A1 (0.38) ALDH1A1TET2EGLN1TGFBR1
SCHEMBL28877364 0.82
SCHEMBL15131703 0.82
SCHEMBL9575126 0.79
SCHEMBL5352787 0.77 ALDH1A1 (0.50) ALDH1A1TET2EGLN1TSHRKEAP1
SCHEMBL6950834 0.76 ALDH1A1 (0.56) ALDH1A1TET2EGLN1TSHRKEAP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110004003-A1 Compound, Photochromic Material, Electronic Material, Compound Producing Method, 2,3-BIS(N,N-BIS(P-ANISYL)4-Minophenylethynyl)Dimethylfumarate Producing Method and 2,3-BIS(N,N-BIS(P-ANISYL)4-Aminophenylethynyl)Dimethylmaleate Producing method THE UNIVERSITY OF TOKYO (JP) 2011-01-06 US claimed
US-10933142-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2021-03-02 US disclosed
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS LTD (GB) 2020-04-09 US disclosed
US-10548982-B2 Reversible covalent linkage of functional molecules UCL BUSINESS LTD (GB) 2020-02-04 US disclosed
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2019-05-16 US disclosed
US-10174094-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2019-01-08 US disclosed
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS PLC (GB) 2016-06-23 US disclosed
US-9295729-B2 Reversible covalent linkage of functional molecules UCL BUSINESS PLC (GB) 2016-03-29 US disclosed
EP-2889624-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2015-07-01 EP disclosed
EP-2464654-B1 THIOL PROTECTING GROUP UCL BUSINESS PLC (GB) 2014-10-08 EP disclosed
EP-2549276-A2 Reversible covalent linkage of functional molecules UCL Business PLC (GB) 2013-01-23 EP disclosed
US-20120190579-A1 Functionalisation of Solid Substrates UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190814-A1 Thiol Protecting Group UCL BUSINESS PLC (GB) 2012-07-26 US disclosed
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
EP-2464972-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL Business PLC (GB) 2012-06-20 EP disclosed
EP-2464654-A2 THIOL PROTECTING GROUP UCL Business PLC (GB) 2012-06-20 EP disclosed
EP-2464974-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL Business PLC (GB) 2012-06-20 EP disclosed
WO-2011018613-A1 FUNCTIONALISATION OF SOLID SUBSTRATES UCL BUSINESS PLC (GB) 2011-02-17 WO disclosed
WO-2011018611-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES UCL BUSINESS PLC (GB) 2011-02-17 WO disclosed
WO-2011018612-A2 THIOL PROTECTING GROUP UCL BUSINESS PLC (GB) 2011-02-17 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 (10 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-20110004003-A1 Compound, Photochromic Material, Electronic Material, Compound Producing Method, 2,3-BIS(N,N-BIS(P-ANISYL)4-Minophenylethynyl)Dimethylfumarate Producing Method and 2,3-BIS(N,N-BIS(P-ANISYL)4-Aminophenylethynyl)Dimethylmaleate Producing method METTL14, DHPS, PAH ALDH1A1 949/4885TET2 247/4885EGLN1 1338/4885
US-10174094-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO ALDH1A1 3038/4885TET2 3531/4885EGLN1 2880/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 ALDH1A1 76/4885TET2 2192/4885EGLN1 2897/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 ALDH1A1 80/4885TET2 2203/4885EGLN1 2796/4885
US-20120190814-A1 Thiol Protecting Group TXN, PRDX3, TST ALDH1A1 118/4885TET2 671/4885EGLN1 1776/4885

“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.