SCHEMBL1007489

SCHEMBL1007489

c1ccc(OCCOCCCCCCCCOC2CCCCO2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4C Q9H3R0 1/20 0.51
KCNA3 P22001 2/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
FOXM1 Q08050 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL3174072 0.94 MEN1 (0.57) MEN1KMT2AKDM4CKCNA3HPGD
SCHEMBL3806558 0.90 MEN1 (0.61) MEN1KMT2AKDM4CKCNA3HPGD
SCHEMBL25278062 0.85 FOXM1 (0.58) MEN1KMT2AKDM4CHTTFOXM1
SCHEMBL21068591 0.84 MEN1 (0.52) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL22787023 0.84 MEN1 (0.52) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL22787030 0.84 MEN1 (0.52) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL27269435 0.84 MEN1 (0.52) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL4594361 0.83 MEN1 (0.68) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL20305765 0.83 MEN1 (0.51) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL22787074 0.83 MEN1 (0.51) MEN1KMT2AKDM4CFOXM1NPC1

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 MEN1 2587/4885KMT2A 731/4885KDM4C 1718/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 MEN1 2587/4885KMT2A 731/4885KDM4C 1718/4885

“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.