SCHEMBL6973928

SCHEMBL6973928

CCCCCCCCO[C@@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H]1COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 1/20 0.44
NR3C1 P04150 1/20 0.44
FYN P06241 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2B P18089 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
THRB P10828 3/20 0.42
CA12 O43570 8/20 0.42
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA9 Q16790 6/20 0.42
PKM P14618 1/20 0.40

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
SCHEMBL6972712 0.95 TSHR (0.46) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL13766714 0.87 TSHR (0.47) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL6979988 0.87 CYP2D6 (0.51) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL6975172 0.87 CYP2D6 (0.51) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL10147744 0.85 MAPT (0.47) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL9617877 0.84 CYP2D6 (0.53) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL10495764 0.83 CYP2D6 (0.55) HSD17B10CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL31252904 0.82 CYP2D6 (0.57) HSD17B10CYP2D6MAPTTSHRNR3C1
SCHEMBL5181975 0.82 CYP2D6 (0.57) HSD17B10CYP2D6MAPTTSHRNR3C1
SCHEMBL4606889 0.82 THRB (0.57) HSD17B10CYP2D6TSHRNR3C1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883758-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof ANADYS PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
EP-2561872-A1 3, 5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo [4,5-d]pyrimidin-2-one compounds and prodrugs thereof Anadys Pharmaceuticals, Inc. (US) 2013-02-27 EP disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2011-11-10 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 (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-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof TLR5, THPO, IDO1 HSD17B10 2583/4885CYP2D6 123/4885ALDH1A1 340/4885
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 HSD17B10 2583/4885CYP2D6 123/4885ALDH1A1 340/4885
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 HSD17B10 2583/4885CYP2D6 123/4885ALDH1A1 340/4885

“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.