SCHEMBL714217

SCHEMBL714217

N#CCCN(CCC#N)CCCCCCN(CCC#N)CCC#N

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.65
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.35
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CYP3A4 P08684 1/20 0.32
DRD3 P35462 1/20 0.31

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
SCHEMBL714027 1.00 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL17038665 1.00 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591979 1.00 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591981 1.00 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591987 1.00 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591992 0.97 LCK (0.70) LCKALDH1A1TDP1TSHRLOX
SCHEMBL2425755 0.97 LCK (0.68) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714869 0.91 LCK (0.76) LCKALDH1A1TDP1TSHRLOX
SCHEMBL10051136 0.91 LCK (0.76) LCKALDH1A1TDP1TSHRLOX
SCHEMBL17451526 0.88 LCK (0.52) LCKALDH1A1TDP1TSHRLOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2015-08-27 US disclosed
WO-2014029888-A2 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2014-02-27 WO disclosed
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
EP-2484677-A1 Polyamine derivative BASF SE (DE) 2012-08-08 EP disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 US disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 US disclosed
EP-1840127-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP disclosed
US-4615709-A WITH AN ANIONIC DYE IPPOSHA OIL INDUSTRIES CO., LTD. (JP) 1986-10-07 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 (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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 LCK 2455/4885ALDH1A1 4005/4885TDP1 622/4885
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF SRM, SMS, PNMT LCK 1969/4885ALDH1A1 3375/4885TDP1 1604/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 LCK 3982/4885ALDH1A1 4203/4885TDP1 674/4885

“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.