SCHEMBL1007282

SCHEMBL1007282

O=C(O)CCCCCCCOCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.45
LTB4R Q15722 1/20 0.45
EPHX2 P34913 1/20 0.44
FFAR1 O14842 3/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 2/20 0.43
LTA4H P09960 1/20 0.43
GBA1 P04062 1/20 0.43
UGCG Q16739 1/20 0.43
GBA2 Q9HCG7 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G4B P0C869 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
SCHEMBL6422109 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL8984382 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL5508985 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL1008067 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL830483 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL2867823 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL8984468 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL1007119 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL2871485 0.85 MAPT (0.59) EPHX2FFAR1HTTMAPTRXFP1
SCHEMBL20378979 0.84 MAOB (0.45) NR4A2GBA1UGCGGBA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8673946-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2013-01-31 US disclosed
US-8349893-B2 4-trimethylammonio-butyrates as CPT2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US 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-2280935-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009132979-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO 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
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 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 (4 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 909/4885EPHX2 2708/4885
US-20090270500-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 FFAR4 171/4885LTB4R 1370/4885EPHX2 3402/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 FFAR4 190/4885LTB4R 909/4885EPHX2 2708/4885
US-20130030033-A1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS CPT1A, CPT1B, CPT2 FFAR4 171/4885LTB4R 1370/4885EPHX2 3402/4885

“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.