SCHEMBL1006752

SCHEMBL1006752

COC(=O)CCCCCCCC(=O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
LTA4H P09960 1/20 0.43
LTB4R Q15722 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL8133722 0.84 KMT2A (0.54) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL23055031 0.83 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL23054777 0.83 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL23055021 0.83 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL1114949 0.83 HDAC6 (0.50) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL23054779 0.83 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL1006764 0.83 LMNA (0.49) LMNALTA4HLTB4RTSHR
SCHEMBL4130517 0.82 NPC1 (0.53) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL15480456 0.82 ALDH1A1 (0.49) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL10407826 0.82 NPC1 (0.53) LMNAALDH1A1KDM4EPOLBKMT2A

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 LMNA 1679/4885ALDH1A1 177/4885KDM4E 1441/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 LMNA 1679/4885ALDH1A1 177/4885KDM4E 1441/4885

“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.