SCHEMBL1008501

SCHEMBL1008501

O=C(O)CCCCCCCCOc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
FFAR4 Q5NUL3 2/20 0.60
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
PPARA Q07869 2/20 0.51
FABP1 P07148 1/20 0.51
NR4A2 P43354 1/20 0.50
PDK2 Q15119 1/20 0.50
ACSL1 P33121 1/20 0.49
ACSL6 Q9UKU0 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49

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
SCHEMBL3175199 0.94 FFAR4 (0.66) FFAR1FFAR4NR4A2PDK2CYSLTR2
SCHEMBL1889231 0.89 FFAR1 (0.56) FFAR1FFAR4PPARANR4A2PDK2
SCHEMBL29757228 0.89 FFAR1 (0.56) FFAR1FFAR4PPARANR4A2PDK2
SCHEMBL30639265 0.89 PPARA (0.58) FFAR1FFAR4HDAC1HDAC2PPARA
SCHEMBL4081340 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1
SCHEMBL4076679 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1
SCHEMBL4110127 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1
SCHEMBL4114764 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1
SCHEMBL2158881 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1
SCHEMBL4086003 0.83 CNR2 (0.67) HDAC1HDAC2PPARAFABP1ACSL1

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 FFAR1 162/4885FFAR4 190/4885HDAC1 360/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 FFAR1 162/4885FFAR4 190/4885HDAC1 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.