SCHEMBL19326322

SCHEMBL19326322

CO[C@@H]1O[C@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CES2 O00748 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
SCHEMBL13486944 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL15095564 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13672338 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13151549 1.00 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13065704 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL21782410 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL14853781 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL5682469 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13649108 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL13184474 0.94 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253584-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES GILEAD PHARMASSET LLC (US) 2017-09-07 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-20170253584-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, RNGTT ALDH1A1 1331/4885MAPT 4727/4885POLB 265/4885

“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.