SCHEMBL1007682

SCHEMBL1007682

COc1ccc(OCCCCCCCCC(=O)N[C@H](CC(=O)OCc2ccccc2)CN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.42
HDAC2 Q92769 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
SCHEMBL1007683 1.00 GAA (0.49) GAATP53TSHRLPAR1LPAR3
SCHEMBL4307663 0.94 HDAC1 (0.47) LPAR1LPAR3LTA4HHDAC2
SCHEMBL1005585 0.94 HDAC1 (0.47) LPAR1LPAR3LTA4HHDAC2
SCHEMBL1009306 0.94 HDAC1 (0.47) LPAR1LPAR3LTA4HHDAC2
SCHEMBL1009308 0.94 HDAC1 (0.47) LPAR1LPAR3LTA4HHDAC2
SCHEMBL1008346 0.93 L3MBTL1 (0.47) GAALPAR1LPAR3ALDH1A1HDAC2
SCHEMBL1008347 0.93 L3MBTL1 (0.47) GAALPAR1LPAR3ALDH1A1HDAC2
SCHEMBL1010084 0.93 HDAC1 (0.51) LPAR1LPAR3HDAC2
SCHEMBL1010082 0.93 HDAC1 (0.51) LPAR1LPAR3HDAC2
SCHEMBL1008461 0.92 KDM4E (0.43) LPAR1LPAR3LTA4HHDAC2

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 GAA 955/4885TP53 4545/4885TSHR 2935/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 GAA 955/4885TP53 4545/4885TSHR 2935/4885

“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.