SCHEMBL1007158

SCHEMBL1007158

OCCCCCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.63
HDAC2 Q92769 11/20 0.63
HDAC3 O15379 10/20 0.63
HDAC4 P56524 10/20 0.63
HDAC7 Q8WUI4 10/20 0.63
HDAC10 Q969S8 10/20 0.63
HDAC11 Q96DB2 10/20 0.63
HDAC8 Q9BY41 10/20 0.63
HDAC6 Q9UBN7 10/20 0.63
HDAC9 Q9UKV0 10/20 0.63
HDAC5 Q9UQL6 10/20 0.63
ALDH1A1 P00352 1/20 0.61
RECQL P46063 1/20 0.61
LSS P48449 1/20 0.56
KCNA3 P22001 1/20 0.56
HRH3 Q9Y5N1 6/20 0.55
KCNH2 Q12809 2/20 0.55
HRH4 Q9H3N8 2/20 0.55

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
SCHEMBL26981903 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364524 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28025846 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29290455 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6392367 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1533000 1.00 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2838769 0.98 ALDH1A1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5381503 0.92 ALDH1A1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL242058 0.92 ALDH1A1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2719525 0.92 ALDH1A1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7

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
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 US disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC2 213/4885HDAC3 523/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC2 213/4885HDAC3 523/4885

“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.