SCHEMBL824837

SCHEMBL824837

CCCC1COCCN1CCO

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
HTR3A P46098 1/20 0.30

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
SCHEMBL23712362 0.90 PDK1 (0.37) PDK1KDM4EALDH1A1PDK2PDK3
SCHEMBL7022290 0.87 PDK1 (0.36) PDK1KDM4EALDH1A1PDK2PDK3
SCHEMBL824959 0.87 S1PR1 (0.41) PDK1ALDH1A1
SCHEMBL824956 0.87 S1PR1 (0.41) PDK1ALDH1A1
SCHEMBL20298897 0.87 S1PR1 (0.41) PDK1ALDH1A1
SCHEMBL22026830 0.87 S1PR1 (0.41) PDK1ALDH1A1
SCHEMBL9801092 0.86 PDK1 (0.41) PDK1KDM4EALDH1A1PDK2PDK3
Delmopinol SCHEMBL20298306 0.84 PDK1 (0.33) PDK1KDM4EALDH1A1PDK2PDK3
Delmopinol SCHEMBL120704 0.84 PDK1 (0.33) PDK1KDM4EALDH1A1PDK2PDK3
Delmopinol SCHEMBL23705763 0.82 PDK1 (0.33) PDK1PDK2PDK3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143463-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
US-8143463-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
US-8143463-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2012-03-27 US disclosed
US-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2011-04-21 US disclosed
US-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2011-04-21 US disclosed
US-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2011-04-21 US disclosed
US-7910730-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-22 US disclosed
US-7910730-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-22 US disclosed
US-7902357-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-08 US disclosed
US-7902357-B2 Process for the preparation of delmopinol and derivatives thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2011-03-08 US disclosed
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2010-09-02 US disclosed
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof ARTUS SURROCA JUAN JOSE 2010-09-02 US disclosed
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2009-05-28 US disclosed
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof SINCLAIR PHARMACEUTICALS LIMITED (GB) 2009-05-28 US disclosed
EP-1948626-B1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LTD (GB) 2009-03-04 EP disclosed
EP-1948626-B1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LTD (GB) 2009-03-04 EP disclosed
EP-1948626-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF Sinclair Pharmaceuticals Limited (GB) 2008-07-30 EP disclosed
WO-2007057681-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-05-24 WO disclosed
WO-2007057681-A1 PROCESS FOR THE PREPARATION OF DELMOPINOL AND DERIVATIVES THEREOF SINCLAIR PHARMACEUTICALS LIMITED (GB) 2007-05-24 WO 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 (3 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-20110092751-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 PDK1 1553/4885KDM4E 4157/4885ALDH1A1 2327/4885
US-20100222579-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 PDK1 1553/4885KDM4E 4157/4885ALDH1A1 2327/4885
US-20090137798-A1 Process for the Preparation of Delmopinol and Derivatives Thereof MDN1, MCOLN3, EML4 PDK1 1569/4885KDM4E 4134/4885ALDH1A1 2353/4885

“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.