SCHEMBL3020908

SCHEMBL3020908

CC(=O)C(=O)OC1=CCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GSTP1 P09211 1/20 0.32

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
SCHEMBL3020955 0.94 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL3994896 0.85 KMT2A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15226824 0.85 KMT2A (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1523430 0.83
SCHEMBL3994898 0.83 GSTP1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20440725 0.81 HDAC4 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
Methacrylic Acid SCHEMBL7616667 0.80 KMT2A (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL999502 0.79 KMT2A (0.40) HDAC4HDAC2HDAC8HDAC6GSTP1
SCHEMBL20440728 0.79 HDAC4 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL147808 0.79 HDAC4 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 2184/4885HDAC4 2302/4885HDAC1 2053/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR HDAC3 3257/4885HDAC4 3581/4885HDAC1 2899/4885

“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.