Acetaldehyde

Acetaldehyde

SCHEMBL1376490

CC(=O)c1ccc(N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1.CC=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.67
HDAC8 Q9BY41 2/20 0.56
MAPT P10636 13/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Acetone SCHEMBL1376491 0.94 HDAC1 (0.72) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL3994557 0.87 MAPT (0.60) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL1376525 0.84 HDAC1 (0.67) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL12151011 0.84 HDAC1 (0.67) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL12150976 0.83 HDAC1 (0.77) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL4121311 0.81 HDAC1 (1.00) HDAC1HDAC8MAPTLMNAKMT2A
SCHEMBL1377912 0.81 HDAC1 (0.77) HDAC1HDAC8MAPTALDH1A1LMNA
SCHEMBL4113501 0.81 HDAC1 (1.00) HDAC1HDAC8MAPTLMNAKMT2A
SCHEMBL1374613 0.81 HDAC1 (1.00) HDAC1HDAC8MAPTLMNAKMT2A
SCHEMBL14159458 0.81 HDAC1 (0.77) HDAC1HDAC8MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 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 (3 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 HDAC1 1/4885HDAC8 7/4885MAPT 2594/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885HDAC8 8/4885MAPT 1214/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885HDAC8 8/4885MAPT 1214/4885

“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.