SCHEMBL5318029

SCHEMBL5318029

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@](C(=O)c3ccccc3)(n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
ST6GAL1 P15907 1/20 0.34
UBE2N P61088 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK14 Q16539 1/20 0.32
TYMP P19971 1/20 0.31
KIF11 P52732 3/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CDKN1A P38936 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NT5E P21589 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
SCHEMBL28280335 0.80 BACE1 (0.32) BACE1TYMPKIF11BACE2
SCHEMBL5150771 0.77 NT5E (0.51) ST6GAL1TYMPNT5E
SCHEMBL30514382 0.76 TYMP (0.42) BACE1ST6GAL1MAPK14TYMP
SCHEMBL10430325 0.76 ST6GAL1 (0.31) ST6GAL1
SCHEMBL28758788 0.75 PDE4D (0.42) BACE1ALDH1A1
SCHEMBL5859677 0.74
SCHEMBL6835021 0.73 TYMP (0.39) BACE1ST6GAL1TYMP
SCHEMBL7175441 0.73 TYMP (0.38) ST6GAL1TYMP
SCHEMBL4344762 0.73 BACE1 (0.33) BACE1KDM4EKIF11
SCHEMBL7813909 0.73 EGFR (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070218490-A1 NUCLEIC ACID MONOMERS WITH 2'-CHEMICAL MOIETIES INTEGRATED DNA TECHNOLOGIES, INC. (US) 2007-09-20 US disclosed
WO-2007106907-A2 NUCLEIC ACID MONOMERS WITH 2'-CHEMICAL MOIETIES INTEGRATED DNA TECHNOLOGIES, INC. (US) 2007-09-20 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-20070218490-A1 NUCLEIC ACID MONOMERS WITH 2'-CHEMICAL MOIETIES POLRMT, RNGTT, POLM BACE1 4732/4885ST6GAL1 2390/4885UBE2N 1216/4885

“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.