SCHEMBL11986882

SCHEMBL11986882

CC[C@H]1O[C@@H](n2cnc3c(=O)n(C)c(/N=C/N(C)C)nc32)C[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HIF1A Q16665 1/20 0.40
▸ POLA1 P09884 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ POLB P06746 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
SCHEMBL11986883 0.90 PNP (0.34) PNPLMNATP53HTTPDE4D
SCHEMBL26189597 0.80 PNP (0.46) PNPLMNATP53HTTPDE4D
SCHEMBL26233431 0.80 PNP (0.47) PNPLMNATP53HTTPDE4D
SCHEMBL23710630 0.78 HPGD (0.52) LMNATP53HIF1ANT5E
SCHEMBL31685677 0.75 PNP (0.55) PNPLMNATP53HTTPDE4D
SCHEMBL19662722 0.74 POLA1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL22571146 0.74 POLA1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23734167 0.74 POLA1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL29455222 0.74 POLA1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL17521209 0.74 PNP (0.58) PNPLMNATP53HTTPDE4D

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-8247540-B2 Caged nucleotides and oligonucleotides and their application DEITERS ALEXANDER (US) 2012-08-21 — — US disclosed
US-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION DEITERS ALEXANDER 2010-04-22 — — 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-20100099159-A1 CAGED NUCLEOTIDES AND OLIGONUCLEOTIDES AND THEIR APPLICATION RNGTT, NT5C3B, ADAR PNP 19/4885LMNA 878/4885TP53 735/4885

“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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