SCHEMBL1007744

SCHEMBL1007744

O=C(O)CCCCCCOCCc1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGER1 P34995 1/20 0.38
PTGFR P43088 1/20 0.38
PLA2G4B P0C869 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
PPARA Q07869 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F13A1 P00488 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL1006970 0.88 FFAR4 (0.35) FFAR4LTB4RLTB4R2HDAC1HDAC2
SCHEMBL1008279 0.87 FFAR4 (0.52) FFAR4LTB4RLTB4R2MAPTRXFP1
SCHEMBL30428005 0.84 FFAR4 (0.49) FFAR4LTB4RLTB4R2MAPTRXFP1
SCHEMBL1007490 0.82 PTGS2 (0.36) FFAR4MEN1KMT2A
SCHEMBL29680321 0.82 FFAR4 (0.50) FFAR4MAPTRXFP1HDAC1HDAC2
SCHEMBL4639208 0.82 FFAR4 (0.50) FFAR4MAPTRXFP1HDAC1HDAC2
SCHEMBL29666343 0.80 TAAR1 (0.40) KMT2A
SCHEMBL28687834 0.78 TAAR1 (0.36) FFAR4
SCHEMBL1337385 0.78 FFAR4 (0.47) FFAR4PTGER1ALDH1A1MEN1KMT2A
SCHEMBL1007443 0.78 ALDH1A1 (0.47) FFAR4LTB4RLTB4R2MAPTRXFP1

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 FFAR4 190/4885LTB4R 909/4885LTB4R2 606/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 FFAR4 190/4885LTB4R 909/4885LTB4R2 606/4885

“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.