SCHEMBL15075322

SCHEMBL15075322

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 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
▸ NPC1 O15118 1/20 0.36
▸ HRAS P01112 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL15574918 1.00 ALDH1A1 (0.43) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL19535620 0.90 ALDH1A1 (0.41) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL21007946 0.90 ALDH1A1 (0.41) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL19535619 0.90 ALDH1A1 (0.41) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL15075166 0.90 ALDH1A1 (0.43) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL19535621 0.90 ALDH1A1 (0.41) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL14820863 0.89 ALDH1A1 (0.40) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL14821346 0.89 ALDH1A1 (0.40) ALDH1A1MAPTPOLBGAAMAPK1
SCHEMBL18671858 0.89 LGALS9 (0.34) ALDH1A1GAAKMT2AMEN1CHRNA7
SCHEMBL15075168 0.89 ALDH1A1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605018-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-05-21 — — US disclosed
US-8980865-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2015-03-17 — — US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — 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 (2 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-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885MAPT 4059/4885POLB 79/4885
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885MAPT 4059/4885POLB 79/4885

“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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