SCHEMBL1007343

SCHEMBL1007343

O=C(O)CCCCCCCCOc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
LTB4R Q15722 4/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
FFAR4 Q5NUL3 2/20 0.45
CNR2 P34972 1/20 0.45
PPARA Q07869 2/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3948951 0.98 GRM2 (0.49) GRM2LTB4RLTB4R2KDM4EFFAR4
SCHEMBL13506327 0.89 LMNA (0.56) GRM2KDM4EFFAR4ALDH1A1LMNA
SCHEMBL13492009 0.87 KDM4E (0.60) LTB4RLTB4R2KDM4EPPARAALDH1A1
SCHEMBL1006920 0.87 KDM4E (0.60) LTB4RLTB4R2KDM4EPPARAALDH1A1
SCHEMBL1009647 0.86 FFAR1 (0.44) LTB4RLTB4R2FFAR4CNR2PPARA
SCHEMBL8220579 0.85 KDM4E (0.61) LTB4RKDM4EPPARAALDH1A1LMNA
SCHEMBL4951982 0.84 FFAR4 (0.45) FFAR4CNR2PPARA
SCHEMBL8163174 0.81 LMNA (0.62) LTB4RLTB4R2CNR2PPARAFABP3
SCHEMBL8162525 0.81 LMNA (0.62) LTB4RLTB4R2CNR2PPARAFABP3
SCHEMBL8148742 0.81 LMNA (0.62) LTB4RLTB4R2CNR2PPARAFABP3

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 GRM2 1610/4885LTB4R 909/4885LTB4R2 606/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 GRM2 1610/4885LTB4R 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.