SCHEMBL713835

SCHEMBL713835

CC(CN(CCC#N)CCC#N)N(CCC#N)CCC#N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.33

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
SCHEMBL11382586 0.89 LCK (0.32) LCKCYP1A2MAPK1
SCHEMBL11701824 0.76 LCK (0.43) LCKCYP1A2MAPK1TSHR
SCHEMBL6829951 0.76 LCK (0.39) LCKCYP1A2MAPK1TSHR
SCHEMBL150669 0.75 MAPK1 (0.58) LCKCYP1A2MAPK1TSHR
SCHEMBL7319284 0.74 TSHR (0.40) LCKCYP1A2MAPK1TSHR
SCHEMBL6790920 0.72 FDPS (0.34)
SCHEMBL11047390 0.71 LCK (0.39) LCKCYP1A2MAPK1TSHR
SCHEMBL23735583 0.70 MAPK1 (0.41) LCKCYP1A2MAPK1TSHR
SCHEMBL5145272 0.70 TSHR (0.37) LCKCYP1A2MAPK1TSHR
SCHEMBL31616904 0.70 LCK (0.52) LCKCYP1A2MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105936824-B Soil heavy metal activator and preparation method and application thereof 深圳多元拓展环保科技有限公司 2021-04-06 CN claimed
CN-105936824-B Soil heavy metal activator and preparation method and application thereof 深圳多元拓展环保科技有限公司 2021-04-06 CN 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

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 LCK 2455/4885CYP1A2 4023/4885MAPK1 3075/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 LCK 3982/4885CYP1A2 2859/4885MAPK1 2120/4885

“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.