SCHEMBL6885494

SCHEMBL6885494

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TYMP P19971 3/20 0.53
P2RY2 P41231 3/20 0.45
P2RY4 P51582 3/20 0.45
P2RY6 Q15077 2/20 0.45
NT5E P21589 1/20 0.41
TYMS P04818 1/20 0.41
DUT P33316 2/20 0.40
LMNA P02545 3/20 0.39
CACNA1F O60840 2/20 0.39
ALB P02768 2/20 0.39
MAPT P10636 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
PDE3A Q14432 2/20 0.39
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL6885492 1.00 POLB (0.53) POLBTYMPP2RY2P2RY4P2RY6
SCHEMBL18817978 0.94 POLB (0.49) POLBTYMPP2RY2P2RY4P2RY6
SCHEMBL8491776 0.93 POLB (0.59) POLBTYMPP2RY2P2RY4P2RY6
SCHEMBL13036643 0.88 TYMP (0.42) POLBTYMPP2RY2P2RY4P2RY6
SCHEMBL13036650 0.87 TYMP (0.41) POLBTYMPP2RY2P2RY4P2RY6
SCHEMBL26647528 0.87 TYMP (0.58) POLBTYMPTYMSADRB1DNMT1
SCHEMBL30274788 0.87 TYMP (0.58) POLBTYMPTYMSADRB1DNMT1
SCHEMBL24115327 0.87 TYMP (0.48) POLBTYMPP2RY6NT5ETYMS
SCHEMBL31556049 0.87 TYMP (0.48) POLBTYMPP2RY6NT5ETYMS
SCHEMBL20596260 0.87 TYMP (0.48) POLBTYMPP2RY6NT5ETYMS

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-6825331-B2 DIAGNOSTIC HYBRIDIZATION PROBES; BIOCHEMICAL CONJUGATION ISIS PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them IONIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-6576752-B1 Oligonucleotide comprising a plurality of nucleotide units of given structure; useful for diagnostic, therapeutic and investigative purposes ISIS PHARMACEUTICALS, INC. 2003-06-10 US 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-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them RNGTT, RNMT, DCLRE1B POLB 32/4885TYMP 627/4885P2RY2 3727/4885

“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.