SCHEMBL3310896

SCHEMBL3310896

CCCN(CCC)C(=O)CCCCC(=O)N(CCC)CCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
LMNA P02545 1/20 0.56
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM5A P29375 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 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
SCHEMBL9692960 0.97 ALDH1A1 (0.61) ALDH1A1HPGDLMNACA12CA2
SCHEMBL2477201 0.95 ALDH1A1 (0.59) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL19404635 0.95 ALDH1A1 (0.64) ALDH1A1HPGDLMNACA12CA2
SCHEMBL782029 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL2059032 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL9631729 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL9632548 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL9631084 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL780584 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL9631671 0.93 ALDH1A1 (0.57) ALDH1A1HPGDLMNATSHRTDP1

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-2102148-B1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2015-09-16 EP disclosed
US-8580712-B2 Bis(dialkylamide) compounds and diverse applications thereof RHODIA OPERATIONS (FR) 2013-11-12 US disclosed
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF SPECIALTY OPERATIONS FRANCE (FR) 2010-05-06 US disclosed
EP-2102148-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF Rhodia Opérations (FR) 2009-09-23 EP disclosed
WO-2008074837-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2008-06-26 WO disclosed
EP-0548155-B1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING & MFG (US) 1994-11-23 EP disclosed
US-5108556-A Electrochemically fluorinating a tertiary thioamide precursor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-28 US disclosed
WO-1992005142-A1 PROCESS FOR PREPARING TERTIARY PERFLUOROAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-02 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 (1 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-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF C1R, CBR3, CWC15 ALDH1A1 3605/4885HPGD 4559/4885LMNA 187/4885

“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.