SCHEMBL1008370

SCHEMBL1008370

O=C(O)CCCCCCCCOc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.61
LTA4H P09960 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALB P02768 1/20 0.57
PLA2G4B P0C869 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
PPARG P37231 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL8863703 1.00 PPARA (0.61) PPARALTA4HKDM4ESMN1; SMN2ALB
SCHEMBL4654976 1.00 PPARA (0.61) PPARALTA4HKDM4ESMN1; SMN2ALB
SCHEMBL4654038 1.00 PPARA (0.61) PPARALTA4HKDM4ESMN1; SMN2ALB
SCHEMBL4401690 0.98 PPARA (0.63) PPARALTA4HKDM4ESMN1; SMN2ALB
SCHEMBL3256041 0.93 LTA4H (0.61) PPARALTA4HKDM4ESMN1; SMN2PPARG
SCHEMBL29141429 0.91 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL21073528 0.91 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL31448424 0.91 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL31448470 0.89 PPARA (0.73) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL652824 0.87 L3MBTL1 (0.67) PPARALTA4HKDM4ESMN1; SMN2PPARG

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 PPARA 103/4885LTA4H 1137/4885KDM4E 1441/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 PPARA 103/4885LTA4H 1137/4885KDM4E 1441/4885

“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.