SCHEMBL3089802

SCHEMBL3089802

CC[C@@]1(O)O[C@H](COC(=O)C2=C[C][C]C=C2)[C@H](OC(=O)c2ccccc2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.37
LGALS9 O00182 1/20 0.36
LGALS1 P09382 1/20 0.36
LGALS3 P17931 1/20 0.36
LGALS7; LGALS7B P47929 1/20 0.36
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAPDH P04406 2/20 0.32
PTPN1 P18031 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3189794 0.87 ALDH1A1 (0.36) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL3078227 0.87 ALDH1A1 (0.36) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL8745367 0.74 MAPT (0.45) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL8745366 0.73 MAPT (0.50) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL2932044 0.69 MAPT (0.47) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL14110269 0.68 MAPT (0.62) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL14110267 0.68 MAPT (0.62) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL30708946 0.67 ALDH1A1 (0.46) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL3024504 0.67 ALDH1A1 (0.46) MAPTALDH1A1LGALS9LGALS1LGALS3
SCHEMBL28604390 0.67 MAPT (0.57) MAPTALDH1A1LGALS9LGALS1LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278282-B2 Nucleoside analogs for treatment of viral infections NOVARTIS AG (CH) 2012-10-02 US disclosed
US-20100227833-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS PHARMA AG (CH) 2010-09-09 US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 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-20100227833-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS MAVS, HAVCR2, SAMHD1 MAPT 3531/4885ALDH1A1 2629/4885LGALS9 852/4885
US-20100144655-A1 ORGANIC COMPOUNDS OAT, MAVS, HAVCR2 MAPT 1221/4885ALDH1A1 137/4885LGALS9 636/4885

“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.