SCHEMBL8737489

SCHEMBL8737489

CNCCOCCNCCOCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.35
CA6 P23280 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
RECQL P46063 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA5A P35218 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA3 P07451 2/20 0.33
ALOX15 P16050 2/20 0.33
CA1 P00915 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL5932373 0.93
SCHEMBL9349287 0.91 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL13768916 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
Hydrochloric Acid SCHEMBL14311915 0.90 HTR1D (0.32) HTR1DHTR1B
SCHEMBL8227905 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
SCHEMBL21765336 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
SCHEMBL12256715 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
SCHEMBL19733594 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
SCHEMBL22448482 0.90 HTR1D (0.32) MEN1KMT2AHTR1DHTR1B
Hydrochloric Acid SCHEMBL15808481 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438038-B1 PROCESS FOR THE PREPARATION OF SECONDARY OR TERTIARY AMINES HUNTSMAN CORP HUNGARY ZRT (HU) 2016-04-20 EP 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
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
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 (1 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-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

“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.