SCHEMBL4734775

SCHEMBL4734775

COC(=O)CC(=O)c1ccc(C)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR9 P51686 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL10662120 0.87 HDAC1 (0.51) HDAC1HDAC6KDM4EKMT2AMEN1
SCHEMBL29939457 0.87 HDAC1 (0.51) HDAC1HDAC6KDM4EKMT2AMEN1
SCHEMBL5271037 0.83 HDAC1 (0.51) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL10812902 0.82 HDAC1 (0.58) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL10349630 0.81 HDAC1 (0.45) HDAC1HDAC6KDM4EKMT2AMEN1
SCHEMBL27787011 0.79 SMN1; SMN2 (0.54) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL3539766 0.79 POLB (0.53) HDAC1HDAC6KDM4EKMT2AMEN1
SCHEMBL30574349 0.78 MAPK1 (0.67) HDAC1HDAC6KDM4EKMT2AMEN1
SCHEMBL2632670 0.78 HDAC1 (0.56) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL64763 0.78 MAPK1 (0.67) HDAC1HDAC6KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 WO disclosed
US-4723017-A Process for preparing 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1988-02-02 US disclosed
US-4687856-A 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1987-08-18 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 (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-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS DKK1, HPN, OSBP2 HDAC1 4565/4885HDAC6 3993/4885KDM4E 4320/4885

“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.