SCHEMBL1263005

SCHEMBL1263005

COC(=O)OC1=CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
GSTP1 P09211 1/20 0.32
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL8718568 0.92 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6HSD17B10
SCHEMBL8718560 0.92 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6HSD17B10
SCHEMBL2184201 0.87 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL166015 0.81 HDAC4 (0.41) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL6880330 0.79 ALDH1A1 (0.35) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL7102624 0.79 ELANE (0.42) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL2185733 0.79 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL1523430 0.79
SCHEMBL6881626 0.78 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL3014660 0.77 GSTP1 (0.33) HDAC4HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-20110165593-A1 Mutants of 06-Alkylguanine-DNA Alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2011-07-07 US disclosed
US-7888090-B2 reduced DNA interaction; localization of the expressed protein in eukaryotic cells that is no longer restricted to the nucleus; improved expression yield as soluble protein and improved stability in various hosts; oxidizing resistant;better in vitro solubility ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2011-02-15 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 US disclosed
US-20070207532-A1 Mutants Of O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-09-06 US disclosed
EP-1730298-A1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2006-12-13 EP disclosed
EP-1720981-A2 MUTANTS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2006-11-15 EP disclosed
WO-2005085431-A9 MUTANTS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE LAUSANNE (CH) 2006-10-12 WO disclosed
WO-2005085470-A9 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE LAUSANNE (CH) 2006-10-05 WO disclosed
WO-2005085431-A2 MUTANTS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2005-09-15 WO disclosed
WO-2005085470-A1 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2005-09-15 WO disclosed
EP-1015408-B1 METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS BASF AG (DE) 2002-03-27 EP disclosed
EP-1015408-A1 METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012883-A1 METHOD FOR PRODUCING CYCLOPENTANONE AND CYCLOPENTENE-1-CARBOXYLIC ACID AND THEIR ESTERS BASF AKTIENGESELLSCHAFT (DE) 1999-03-18 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 HDAC4 4541/4885HDAC2 3812/4885HDAC8 4384/4885

“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.