SCHEMBL713873

SCHEMBL713873

CCC(N(CCCN)CCCN)N(CCCN)CCCN

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
DNM1 Q05193 8/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16397973 0.83
SCHEMBL17274228 0.81 TDP1 (0.39) CHRM2DNM1ALDH1A1TSHRTDP1
SCHEMBL3174692 0.80 DNM1 (0.36) CHRM2DNM1MEN1KMT2AALDH1A1
SCHEMBL19090827 0.79 CHRM2 (0.35) CHRM2DNM1MEN1KMT2AALDH1A1
SCHEMBL9640863 0.77 CHRM2 (0.33) CHRM2DNM1MEN1KMT2AALDH1A1
SCHEMBL3942741 0.73 LCK (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3955143 0.73 LCK (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3944854 0.73 LCK (0.31) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL20197088 0.73 CHRM2 (0.31) CHRM2
SCHEMBL17582491 0.73 CHRM2 (0.36) CHRM2TDP1

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 CHRM2 620/4885DNM1 2476/4885MEN1 282/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 CHRM2 313/4885DNM1 1888/4885MEN1 432/4885

“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.