SCHEMBL770197

SCHEMBL770197

NCCOCCNCCOCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
RECQL P46063 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA5A P35218 4/20 0.42
LMNA P02545 3/20 0.42
CA3 P07451 3/20 0.42
ALOX15 P16050 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA1 P00915 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL9437143 0.97 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL7262297 0.97 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL8874005 0.94 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL18217836 0.88 CA12 (0.40) CA12CA6CA7CA9CA14
SCHEMBL18217835 0.88 CA12 (0.40) CA12CA6CA7CA9CA14
SCHEMBL8015113 0.88 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL394823 0.87 TSHR (0.40) CA12CA6CA7CA9CA14
SCHEMBL8737489 0.87 CA12 (0.35) CA12CA6CA7CA9CA14
SCHEMBL29020509 0.87 TSHR (0.35) CA12CA6CA7CA9CA14
SCHEMBL13520206 0.85 TSHR (0.38) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666623-B2 Tetramaleimide linkers and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2023-06-06 US disclosed
EP-2646489-B1 BLOWING CATALYST HUNTSMAN CORP HUNGARY ZRT (HU) 2018-07-04 EP disclosed
US-RE46374-E1 Process for preparing di-, tri- and polyamines by homogeneously catalyzed alcohol amination BASF SE (DE) 2017-04-25 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
EP-2683681-B1 METHOD FOR PRODUCING DIAMINES, TRIAMINES AND POLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION BASF SE (DE) 2015-07-01 EP disclosed
US-8912361-B2 Process for preparing di-, tri- and polyamines by homogeneously catalyzed alcohol amination BASF SE (DE) 2014-12-16 US disclosed
US-8853308-B2 Hydrodispersible polyisocyanate compositions VENCOREX FRANCE (FR) 2014-10-07 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
EP-2438039-B1 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 CORP HUNGARY ZRT (HU) 2013-07-31 EP 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
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-20110151127-A1 NOVEL MIXTURES OF POLYISOCYANATE COMPOSITIONS PERSTORP FRANCE (FR) 2011-06-23 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
US-20100273920-A1 NOVEL HYDRODISPERSIBLE POLYISOCYANATE COMPOSITIONS PERSTORP FRANCE (FR) 2010-10-28 US 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-20120071622-A1 Method for Providing a Secondary or Tertiary Amine HRH3, HRH4, NPR3 CA12 2348/4885CA6 3016/4885CA7 1815/4885
US-20140155655-A1 Method for providing a secondary or tertiary amine HRH3, HRH4, GLRA3 CA12 2557/4885CA6 3160/4885CA7 1953/4885
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 2473/4885CA6 3192/4885CA7 1094/4885
US-11666623-B2 Tetramaleimide linkers and use thereof MCTS1, CA14, TTL CA12 11/4885CA6 109/4885CA7 127/4885

“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.