SCHEMBL13454886

SCHEMBL13454886

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA5 P30532 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PPM1B O75688 1/20 0.34
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 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
SCHEMBL20633050 1.00 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL16214812 1.00 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL1832401 0.85 ALDH1A1 (0.40) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL9909462 0.85 ALDH1A1 (0.40) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL1832400 0.85 ALDH1A1 (0.40) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL12525570 0.84 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL12524607 0.84 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL3026458 0.82 MAPT (0.49) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL3026456 0.82 MAPT (0.49) ALDH1A1MAPTPOLBMAPK1GAA
SCHEMBL19974399 0.81 ALDH1A1 (0.47) ALDH1A1MAPTPOLBMAPK1GAA

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-8877733-B2 1′-substituted pyrimidine N-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-11-04 — — US disclosed
US-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 — — 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-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, TYMP ALDH1A1 1076/4885MAPT 4260/4885POLB 545/4885

“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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