SCHEMBL12885705

SCHEMBL12885705

CC[C@H]1C[C@H](n2ccc(C)nc2=O)O[C@@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ PDE3A Q14432 3/20 0.40
▸ CACNA1F O60840 2/20 0.40
▸ ALB P02768 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ CACNA1S Q13698 2/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ PDE4D Q08499 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ TK1 P04183 1/20 0.37

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
SCHEMBL25082481 0.87 LMNA (0.56) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL12885704 0.86 POLB (0.38) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL26019500 0.85 ADRB1 (0.59) ADRB1DNMT1POLBLMNATK1
SCHEMBL18503452 0.79 SLC28A1 (0.53) LMNASLC29A1TK1
SCHEMBL23316644 0.78 POLB (0.40) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL598444 0.78 LMNA (0.59) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL27820622 0.78 LMNA (0.59) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL598443 0.78 LMNA (0.59) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL13036658 0.78 LMNA (0.59) ADRB1DNMT1POLBLMNAPDE3A
SCHEMBL25797550 0.78 POLB (0.47) ADRB1DNMT1POLBLMNAPDE3A

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-7888367-B2 reverse transcriptase mutants which allow an obligate chain terminating nucleoside- or nucleotide phosphate to be excised from the nascent DNA strand by ATP- or pyrophosphate-mediated excision MEDIVIR AB (SE) 2011-02-15 — — US disclosed
US-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv MEDIVIR AB (SE) 2008-09-11 — — 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-20080221140-A1 1-[2',3' -Dideoxy-3' C-(Hydroxymethyl) - Beta-D-Erythro-Pentofuranosyl] Cytosine Derivatives as Hiv NUDT1, TYMP, DPYD ADRB1 1875/4885DNMT1 453/4885POLB 14/4885

“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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