SCHEMBL3009732

SCHEMBL3009732

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
THRB P10828 1/20 0.42
TSHR P16473 4/20 0.41
BTN3A1 O00481 1/20 0.39
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GLO1 Q04760 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL587661 0.86 THRB (0.57) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL8409347 0.86 EPHX1 (0.44) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL10603950 0.80 EPHX1 (0.41) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL10603946 0.80 EPHX1 (0.41) EPHX1THRBTSHRBTN3A1ALDH1A1
SCHEMBL1269971 0.80
SCHEMBL12088001 0.79 THRB (0.46) THRBTSHRALDH1A1MAPTBLM
SCHEMBL9540463 0.78
SCHEMBL8898183 0.78 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9540458 0.78
SCHEMBL29001937 0.78 ALDH1A1 (0.46) EPHX1THRBTSHRBTN3A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 US 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 (2 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-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR EPHX1 372/4885THRB 3144/4885TSHR 4035/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR EPHX1 220/4885THRB 1583/4885TSHR 2605/4885

“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.