SCHEMBL6130682

SCHEMBL6130682

NCCNCCNCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA6 P23280 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA5A P35218 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CA3 P07451 2/20 0.48
ALOX15 P16050 2/20 0.48
CA1 P00915 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TSHR P16473 3/20 0.43

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
SCHEMBL24040362 0.98 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL9501060 0.98 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL394398 0.96 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL19189861 0.89 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL10151431 0.89 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL10455983 0.87 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL15965457 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL7077220 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL31584385 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL28995300 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports IBC ADVANCED TECHNOLOGIES, INC. 2005-03-24 US disclosed
EP-1453602-A4 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECH INC (US) 2005-01-12 EP disclosed
EP-1453602-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2004-09-08 EP disclosed
US-6774082-B2 COMPOSITION FOR USE IN THE SEPARATION OF PREFERENTIAL BIOPOLYMERS FROM SAMPLE IBC ADVANCED TECHNOLOGIES, INC. 2004-08-10 US disclosed
US-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences IBC ADVANCED TECHNOLOGIES, INC. 2003-03-13 US disclosed
WO-2002092766-A2 COMPOSITIONS AND METHODS FOR SEPARATING HETEROCYCLIC AROMATIC AMINE BASES, NUCLEOSIDES, NUCLEOTIDES, AND NUCLEOTIDE SEQUENCES IBC ADVANCED TECHNOLOGIES, INC. (US) 2002-11-21 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-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences NUDT1, ATIC, PNP CA12 2357/4885CA6 3187/4885CA7 2410/4885
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports NUDT1, PCNA, NSUN2 CA12 2216/4885CA6 3314/4885CA7 2347/4885

“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.