SCHEMBL1009316

SCHEMBL1009316

OCCCCCCCCOCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
ALDH1A1 P00352 2/20 0.59
RECQL P46063 1/20 0.59
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL20329897 0.98 KCNA3 (0.61) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL5175807 0.94 KCNA3 (0.67) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL5174921 0.94 KCNA3 (0.67) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL9327512 0.92 ALDH1A1 (0.63) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL9519241 0.92 KCNA3 (0.64) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL9327528 0.90 KCNA3 (0.67) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL1007517 0.90 KCNA3 (0.73) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL1006520 0.90 KCNA3 (0.73) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL812412 0.90 KCNA3 (0.73) KCNA3ALDH1A1RECQLHDAC1HDAC2
SCHEMBL1006073 0.90 KCNA3 (0.73) KCNA3ALDH1A1RECQLHDAC1HDAC2

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 8 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
US-20090312190-A1 Methods and Proteins for the Prophylactic and/or Therapeutic Treatment of Four Serotypes of Dengue Virus and Other Flaviviruses CENTRO DE INGENIERÍA GENÉTICA Y BIOTECNOLOGÍA (CU) 2009-12-17 US 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
EP-1958959-A2 METHODS AND PROTEINS FOR THE PROPHYLACTIC AND/OR THERAPEUTIC TREATMENT OF THE FOUR SEROTYPES OF DENGUE VIRUS AND OTHER FLAVIVIRUSES CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2008-08-20 EP 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 KCNA3 3178/4885ALDH1A1 177/4885RECQL 3287/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 KCNA3 3178/4885ALDH1A1 177/4885RECQL 3287/4885

“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.