SCHEMBL785058

SCHEMBL785058

CN(C)CCOCCN(C=O)CCOCCN(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
USP2 O75604 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 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
SCHEMBL11946876 0.92 CA12 (0.39) CA12CA1CA2CA9USP2
SCHEMBL770546 0.92 CA12 (0.39) CA12CA1CA2CA9USP2
SCHEMBL16659367 0.85 USP2 (0.37) CA12CA1CA2CA9USP2
SCHEMBL16659368 0.75 USP2 (0.31) USP2
SCHEMBL13899788 0.75 TSHR (0.43) USP2
SCHEMBL23085322 0.75 ALOX15 (0.38) USP2KDM4E
SCHEMBL616077 0.74
SCHEMBL2500023 0.74 ADH1A (0.33)
Formic Acid SCHEMBL2960819 0.73 CA12 (0.47) CA12CA1CA2CA9USP2
SCHEMBL9574397 0.72 ALOX15 (0.39)

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 10 patents. 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
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-20140155655-A1 Method for providing a secondary or tertiary amine Huntsman Corporation Hungary ZRt (HU) 2014-06-05 US disclosed
US-8664445-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-03-04 US disclosed
US-20130261199-A1 Blowing Catalyst Huntsman Corporation Hungary ZRt (HU) 2013-10-03 US disclosed
WO-2012072441-A1 BLOWING CATALYST HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2012-06-07 WO 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

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-20120071622-A1 Method for Providing a Secondary or Tertiary Amine HRH3, HRH4, NPR3 CA12 2348/4885CA1 2782/4885CA2 1997/4885
US-20140155655-A1 Method for providing a secondary or tertiary amine HRH3, HRH4, GLRA3 CA12 2557/4885CA1 2923/4885CA2 2129/4885

“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.