SCHEMBL1008467

SCHEMBL1008467

O=C(O)CCCCCCCCOc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
FABP3 P05413 1/20 0.45
FFAR4 Q5NUL3 5/20 0.44
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
ALB P02768 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL28546854 0.94 TSHR (0.51) PPARAPPARGPKMTSHRFABP3
SCHEMBL1520326 0.89 LMNA (0.51) PPARAPPARGPKMTSHRFABP3
SCHEMBL8163906 0.88 FFAR1 (0.49) LTB4RPPARAPPARGPKMTSHR
SCHEMBL21388207 0.85 L3MBTL1 (0.48) THRATHRBKDM4EFFAR1
SCHEMBL1006920 0.84 KDM4E (0.60) LTB4RPPARAKDM4ELTB4R2
SCHEMBL13492009 0.84 KDM4E (0.60) LTB4RPPARAKDM4ELTB4R2
SCHEMBL5533569 0.83 PKM (0.68) LTB4RTHRATHRBPPARAPPARG
SCHEMBL8220579 0.82 KDM4E (0.61) LTB4RPPARAKDM4E
SCHEMBL1282171 0.81 THRA (0.43) THRATHRBPPARAPPARGKDM4E
SCHEMBL1006460 0.80 L3MBTL1 (0.42) THRATHRBKDM4E

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 LTB4R 909/4885THRA 1447/4885THRB 517/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LTB4R 909/4885THRA 1447/4885THRB 517/4885

“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.