SCHEMBL12724266

SCHEMBL12724266

B[C@H]1OC(COC(=O)c2ccccc2)[C@@](C)(COC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ABCB1 P08183 4/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA5 P30532 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SYNJ2 O15056 3/20 0.36
▸ PPM1B O75688 1/20 0.35

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
SCHEMBL16131583 1.00 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL13708338 1.00 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL16131584 1.00 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL1592238 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL12724710 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL12724712 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL16131582 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL12724709 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL13708353 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA
SCHEMBL1592253 0.87 ALDH1A1 (0.46) ALDH1A1NPC1CES2MAPTGAA

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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 — — US disclosed
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 — — WO 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR ALDH1A1 2724/4885NPC1 217/4885CES2 2627/4885

“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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