SCHEMBL1006920

SCHEMBL1006920

O=C(O)CCCCCCCCOc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LTB4R Q15722 3/20 0.51
PPARA Q07869 2/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
LMNA P02545 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL13492009 1.00 KDM4E (0.60) KDM4EL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL8220579 0.98 KDM4E (0.61) KDM4EL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL28550531 0.93 KDM4E (0.59) KDM4EL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL1264964 0.88 LMNA (0.64) KDM4EL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL8158709 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA
SCHEMBL8162525 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA
SCHEMBL8148742 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA
SCHEMBL8163174 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA
SCHEMBL8151680 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA
SCHEMBL8161670 0.88 LMNA (0.62) ALDH1A1KMT2AMEN1LTB4RPPARA

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 KDM4E 1441/4885L3MBTL1 1452/4885TDP1 2013/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 KDM4E 1441/4885L3MBTL1 1452/4885TDP1 2013/4885

“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.