SCHEMBL713869

SCHEMBL713869

N#CCCN(CCC#N)Cc1ccc(CN(CCC#N)CCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
POLB P06746 2/20 0.40
LCK P06239 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PYCR1 P32322 1/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL716384 0.89 ALDH1A1 (0.52) POLBGAADRD3ALDH1A1MEN1
SCHEMBL151627 0.85 ALDH1A1 (0.52) POLBGAADRD3ALDH1A1MEN1
SCHEMBL3520495 0.84 POLB (0.48) POLBLCKGAAALDH1A1
SCHEMBL716014 0.83 MEN1 (0.55) POLBGAADRD3ALDH1A1MEN1
SCHEMBL10962715 0.82 POLB (0.47) POLBLCKGAAALDH1A1
SCHEMBL712716 0.82 LCK (0.48) POLBLCKGAAALDH1A1
SCHEMBL13718713 0.81 HRH3 (0.40) HRH3POLBGAAMAPTDRD3
SCHEMBL14370175 0.81 HRH3 (0.43) HRH3MAPTDRD3ALDH1A1PYCR1
SCHEMBL13938792 0.79 HRH3 (0.49) HRH3MAPTDRD3ALDH1A1NPC1
SCHEMBL148920 0.78 MAOB (0.49) POLBGAADRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 HRH3 30/4885POLB 548/4885LCK 2455/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 HRH3 62/4885POLB 145/4885LCK 3982/4885

“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.