SCHEMBL1007408

SCHEMBL1007408

O=C(O)CCCCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.77
HDAC4 P56524 12/20 0.77
HDAC1 Q13547 12/20 0.77
HDAC7 Q8WUI4 12/20 0.77
HDAC2 Q92769 12/20 0.77
HDAC10 Q969S8 12/20 0.77
HDAC11 Q96DB2 12/20 0.77
HDAC8 Q9BY41 12/20 0.77
HDAC6 Q9UBN7 12/20 0.77
HDAC9 Q9UKV0 12/20 0.77
HDAC5 Q9UQL6 12/20 0.77
PPARA Q07869 3/20 0.69
FFAR4 Q5NUL3 2/20 0.67
FFAR1 O14842 2/20 0.67
LTA4H P09960 1/20 0.59
MMP3 P08254 1/20 0.59

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
SCHEMBL7515225 1.00 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3381443 1.00 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7049246 0.93 FFAR4 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11616532 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL503552 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25228768 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1008297 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL712775 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6342300 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11790866 0.89 PPARA (0.72) 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 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 HDAC3 523/4885HDAC4 410/4885HDAC1 360/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC3 523/4885HDAC4 410/4885HDAC1 360/4885

“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.