SCHEMBL769212

SCHEMBL769212

CN(C)CCOCCN(C)CCOCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CHRM2 P08172 2/20 0.37
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
USP2 O75604 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CHRM4 P08173 1/20 0.32

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
SCHEMBL25477639 0.93 CA12 (0.50) CA12CA2CA9CA1CA3
SCHEMBL12831060 0.93 CHRM2 (0.42) CA12CA2CA9CA1CA3
SCHEMBL770790 0.93
SCHEMBL25477640 0.91 CA12 (0.39) CA12CA2CA9CA1CA3
SCHEMBL16353730 0.90 CA12 (0.47) CA12CA2CA9CA1CHRM2
SCHEMBL22199516 0.90 CHRM2 (0.40) CA12CA2CA9CA1CA3
Hydrochloric Acid SCHEMBL30518951 0.90 CA12 (0.42) CA12CA2CA9CA1CA3
Hydrochloric Acid SCHEMBL25347252 0.90 CA12 (0.42) CA12CA2CA9CA1CA3
SCHEMBL6118026 0.90 CA12 (0.47) CA12CA2CA9CA1CHRM2
Hydrochloric Acid SCHEMBL16781034 0.88 CA12 (0.45) CA12CA2CA9CA1CHRM2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646489-B1 BLOWING CATALYST HUNTSMAN CORP HUNGARY ZRT (HU) 2018-07-04 EP disclosed
EP-2646489-B1 BLOWING CATALYST HUNTSMAN CORP HUNGARY ZRT (HU) 2018-07-04 EP disclosed
US-9382397-B2 Blowing catalyst Huntsman Corporation Hungary ZRt (HU) 2016-07-05 US disclosed
US-9382397-B2 Blowing catalyst Huntsman Corporation Hungary ZRt (HU) 2016-07-05 US disclosed
EP-2438038-B1 PROCESS FOR THE PREPARATION OF SECONDARY OR TERTIARY AMINES HUNTSMAN CORP HUNGARY ZRT (HU) 2016-04-20 EP disclosed
US-8822729-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-09-02 US disclosed
US-8822729-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-09-02 US disclosed
US-8822729-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-09-02 US disclosed
US-20140155655-A1 Method for providing a secondary or tertiary amine Huntsman Corporation Hungary ZRt (HU) 2014-06-05 US disclosed
US-20140155655-A1 Method for providing a secondary or tertiary amine Huntsman Corporation Hungary ZRt (HU) 2014-06-05 US disclosed
WO-2012072441-A1 BLOWING CATALYST HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2012-06-07 WO disclosed
US-20120130132-A1 METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER HUNTSMAN INTERNATIONAL LLC 2012-05-24 US disclosed
US-20120130132-A1 METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER HUNTSMAN INTERNATIONAL LLC 2012-05-24 US disclosed
EP-2438038-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE Huntsman Corporation Hungary ZRt. (HU) 2012-04-11 EP disclosed
EP-2438039-A1 A METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER Huntsman Corporation Hungary ZRt. (HU) 2012-04-11 EP disclosed
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine Huntsman Corporation Hungary ZRt (HU) 2012-03-22 US disclosed
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine Huntsman Corporation Hungary ZRt (HU) 2012-03-22 US disclosed
WO-2010139521-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 WO disclosed
WO-2010139521-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 WO disclosed
WO-2010139520-A1 A Method for Separating N,N-Dialkylbisaminoalkylether from Mixtures Comprising N,N-Dialkylbisaminoalkylether and at least one of N,N,N'-Trialkylbisaminoalkylether and N,N,N',N'-Tetraalkylbisaminoalkylether HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 WO 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-20120071622-A1 Method for Providing a Secondary or Tertiary Amine HRH3, HRH4, NPR3 CA12 2348/4885CA2 1997/4885CA9 1747/4885
US-20140155655-A1 Method for providing a secondary or tertiary amine HRH3, HRH4, GLRA3 CA12 2557/4885CA2 2129/4885CA9 1820/4885
US-20120130132-A1 METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER NCLN, NCL, DNPH1 CA12 2473/4885CA2 3701/4885CA9 929/4885

“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.