SCHEMBL1164026

SCHEMBL1164026

CCOC(=O)C(Br)=C(Br)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GLO1 Q04760 1/20 0.40
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
MAPT P10636 3/20 0.36

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
SCHEMBL38662795 0.90 ALDH1A1 (0.50) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL37045 0.90 ALDH1A1 (0.50) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL37046 0.90 ALDH1A1 (0.50) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL27616895 0.80 SOAT1 (0.39) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL10867157 0.78 ALDH1A1 (0.43) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL26440157 0.78 ALDH1A1 (0.48) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL98770 0.76
Oxalic Acid SCHEMBL27581907 0.76 ALDH1A1 (0.53) EGLN1ALDH1A1TRPA1LMNANPSR1
Oxalic Acid SCHEMBL11125356 0.76 ALDH1A1 (0.53) EGLN1ALDH1A1TRPA1LMNANPSR1
SCHEMBL1277051 0.75 ALDH1A1 (0.46) EGLN1ALDH1A1TRPA1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120190124-A1 Reversible Covalent Linkage of Functional Molecules UCL BUSINESS LTD (GB) 2012-07-26 US disclosed
US-20120190814-A1 Thiol Protecting Group UCL BUSINESS PLC (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 (9 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-10174094-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-20120190124-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-20190142950-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-20120190579-A1 Functionalisation of Solid Substrates XDH, SPR, DAO EGLN1 2880/4885ALDH1A1 3038/4885TRPA1 4864/4885
US-20160176942-A1 Reversible Covalent Linkage of Functional Molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-10548982-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-10933142-B2 Reversible covalent linkage of functional molecules F12, F13A1, F2 EGLN1 2897/4885ALDH1A1 76/4885TRPA1 3215/4885
US-20200108150-A1 REVERSIBLE COVALENT LINKAGE OF FUNCTIONAL MOLECULES F12, F13A1, F2 EGLN1 2796/4885ALDH1A1 80/4885TRPA1 3283/4885
US-20120190814-A1 Thiol Protecting Group TXN, PRDX3, TST EGLN1 1776/4885ALDH1A1 118/4885TRPA1 2410/4885

“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.