SCHEMBL6130665

SCHEMBL6130665

OCCOCC(CO)OCC(O)OO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 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
SCHEMBL6130675 0.80 CA1 (0.39)
SCHEMBL6433059 0.79 TSHR (0.43) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL21855420 0.75 MEN1 (0.50) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL13028968 0.75 MEN1 (0.50) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL1219820 0.75 MEN1 (0.50) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL28098697 0.75 MEN1 (0.50) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL17342799 0.74 TSHR (0.43) TSHRMAPK1MEN1KMT2A
SCHEMBL10366419 0.74 TSHR (0.38) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL9559516 0.74 TSHR (0.38) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL9446799 0.74 ALDH1A1 (0.48) TSHRMAPK1MEN1KMT2AUSP2

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
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
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 (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-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports NUDT1, PCNA, NSUN2 TSHR 2665/4885MAPK1 3243/4885MEN1 2474/4885

“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.