SCHEMBL5694389

SCHEMBL5694389

C=CCOC(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@@H]1OP(=O)(OCC=C)OCCC#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 2/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ P2RY1 P47900 1/20 0.36
▸ NT5E P21589 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ PMP22 Q01453 1/20 0.31

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
SCHEMBL5694105 0.90 POLB (0.39) DNMT1ADRB1P2RY1POLBALDH1A1
SCHEMBL5694113 0.88 POLB (0.42) POLBLMNA
SCHEMBL5908160 0.88 POLG (0.39) P2RY1
SCHEMBL5694100 0.86 NT5E (0.48) P2RY1NT5ELMNATP53HTT
SCHEMBL5694106 0.86 POLB (0.45) P2RY1POLB
SCHEMBL5694199 0.85 CA5A (0.42) P2RY1NT5ELMNATP53HTT
SCHEMBL5694075 0.80 POLB (0.41) POLBALDH1A1
SCHEMBL5694161 0.80 LMNA (0.40) NT5ELMNA
SCHEMBL5908150 0.79 NT5E (0.45) P2RY1NT5ELMNATP53HTT
SCHEMBL5694044 0.78 POLG (0.38) POLBALDH1A1HTT

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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB DNMT1 47/4885ADRB1 2368/4885P2RY1 3789/4885

“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.

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