SCHEMBL716014

SCHEMBL716014

N#CCCN(CCC#N)Cc1cccc(CN(CCC#N)CCC#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
BCHE P06276 2/20 0.38
CALM1 P0DP23 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
DRD3 P35462 1/20 0.37
AR P10275 1/20 0.37

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 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL713869 0.83 HRH3 (0.50) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL151627 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL26655849 0.81 TAAR1 (0.46) MEN1KMT2AALDH1A1TSHR
SCHEMBL3520495 0.81 POLB (0.48) ALDH1A1POLBGAABCHEAR
SCHEMBL712716 0.79 LCK (0.48) ALDH1A1POLBGAABCHEAR
SCHEMBL10962715 0.79 POLB (0.47) ALDH1A1POLBGAABCHEAR
SCHEMBL148920 0.76 MAOB (0.49) ALDH1A1POLBGAATSHROPRM1
SCHEMBL7877735 0.74 ALDH1A1 (0.48) ALDH1A1POLBGAAOPRM1OPRD1
SCHEMBL9016972 0.74 POLB (0.46) ALDH1A1POLBGAATSHRDRD3

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 MEN1 282/4885KMT2A 1254/4885ALDH1A1 4005/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 MEN1 432/4885KMT2A 587/4885ALDH1A1 4203/4885

“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.