SCHEMBL5878698

SCHEMBL5878698

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4ccccc4=O)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.39
SLC6A1 P30531 3/20 0.39
TYMP P19971 1/20 0.38
NPY2R P49146 1/20 0.35
SLC6A12 P48065 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
CYP2J2 P51589 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
F10 P00742 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
SCHEMBL1098282 0.86 P2RY6 (0.38) SLC6A11SLC6A1TYMP
SCHEMBL4074748 0.86 P2RY6 (0.38) SLC6A11SLC6A1TYMP
SCHEMBL2769235 0.83 TK2 (0.42)
SCHEMBL5582060 0.83 TK2 (0.42)
SCHEMBL5557408 0.83 TK2 (0.42)
SCHEMBL24512779 0.83 TK2 (0.42)
SCHEMBL31556076 0.83 TYMP (0.39) SLC6A11SLC6A1TYMPNPY2RSLC6A12
SCHEMBL5992442 0.82 P2RY6 (0.43) SLC6A11SLC6A1TYMP
SCHEMBL4082385 0.82 P2RY6 (0.43) SLC6A11SLC6A1TYMP
SCHEMBL1096600 0.82 P2RY6 (0.43) SLC6A11SLC6A1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053199-B2 Nucleoside analogs and oligonucleotide derivatives containing these analogs Imanishi, Takeshi (JP) 2006-05-30 US disclosed
US-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs IMANISHI, TAKESHI (JP) 2004-09-30 US disclosed
EP-1314734-A1 NOVEL NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE DERIVATIVES CONTAINING THESE ANALOGS Imanishi, Takeshi (JP) 2003-05-28 EP 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-20040192918-A1 Novel nucleoside analogs and oligonucleotide derivatives containing these analogs DCLRE1B, POLB, POLR1E SLC6A11 4785/4885SLC6A1 4740/4885TYMP 34/4885

“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.