SCHEMBL769640

SCHEMBL769640

CN(C)CCOCCN(CCOCCN(C)C)CCOCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
USP2 O75604 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15091 0.90 CA12 (0.52) CA12CA2CA9CA1USP2
SCHEMBL26706541 0.89 CA12 (0.41) CA12CA2CA9CA1USP2
SCHEMBL23306872 0.87 MAPT (0.50) CA12CA2CA9CA1USP2
SCHEMBL19801499 0.87 CA12 (0.44) CA12CA2CA9CA1USP2
SCHEMBL23306871 0.87 MAPT (0.50) CA12CA2CA9CA1USP2
Water SCHEMBL2217898 0.87 CA12 (0.50) CA12CA2CA9CA1USP2
SCHEMBL3973874 0.87 CA12 (0.56) CA12CA2CA9CA1USP2
SCHEMBL12918862 0.87 CA12 (0.56) CA12CA2CA9CA1USP2
SCHEMBL31696969 0.87 CA12 (0.50) CA12CA2CA9CA1USP2
Hydrochloric Acid SCHEMBL473385 0.87 CA12 (0.50) CA12CA2CA9CA1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such HUNTSMAN PETROCHEMICAL LLC (US) 2023-10-31 US disclosed
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such HUNTSMAN PETROCHEMICAL LLC (US) 2023-10-31 US disclosed
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such HUNTSMAN PETROCHEMICAL LLC (US) 2023-10-31 US disclosed
US-20210121860-A1 METHODS FOR PRODUCING TERTIARY AMINE CATALYSTS AND USES OF SUCH HUNTSMAN PETROCHEMICAL LLC (US) 2021-04-29 US disclosed
US-20210121860-A1 METHODS FOR PRODUCING TERTIARY AMINE CATALYSTS AND USES OF SUCH HUNTSMAN PETROCHEMICAL LLC (US) 2021-04-29 US disclosed
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
US-9382397-B2 Blowing catalyst Huntsman Corporation Hungary ZRt (HU) 2016-07-05 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
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
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
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine Huntsman Corporation Hungary ZRt (HU) 2012-03-22 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210121860-A1 METHODS FOR PRODUCING TERTIARY AMINE CATALYSTS AND USES OF SUCH PNMT, HNMT, TH CA12 1464/4885CA2 3253/4885CA9 1254/4885
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine HRH3, HRH4, NPR3 CA12 2348/4885CA2 1997/4885CA9 1747/4885
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such PNMT, HNMT, TH CA12 1464/4885CA2 3253/4885CA9 1254/4885
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.