SCHEMBL21418908

SCHEMBL21418908

CC1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 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
SCHEMBL13857762 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL13941468 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL721635 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL14037391 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL14571165 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL14853799 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL882168 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL19276651 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL21418911 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA
SCHEMBL1287234 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 US disclosed
EP-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2021-11-09 US disclosed
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto DEFENSE THREAT REDUCTION AGENCY, US DOD 2019-10-03 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 (3 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-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 ALDH1A1 996/4885NPC1 585/4885MAPT 3203/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 ALDH1A1 1819/4885NPC1 142/4885MAPT 2451/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP ALDH1A1 1897/4885NPC1 605/4885MAPT 2857/4885

“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.