SCHEMBL12450450

SCHEMBL12450450

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NR3C1 P04150 1/20 0.31
FYN P06241 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2B P18089 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CA9 Q16790 4/20 0.30
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11949492 1.00 TSHR (0.51) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL24279756 0.83 TSHR (0.49) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL19370334 0.83 TSHR (0.49) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL27056828 0.83 TSHR (0.49) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL11948326 0.82 TSHR (0.47) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL11949482 0.82 TSHR (0.47) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL17879657 0.78 TSHR (0.37) TSHRCA9CA12CA1CA2
SCHEMBL14477769 0.77 TSHR (0.46) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL14565314 0.75
SCHEMBL12450451 0.75

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-20140142296-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-2-(HYDROXYMETHYL)-5-METHOXYTETRAHYDROFURAN-3-OL AND ACETYLATED DERIVATIVES THEREOF, FREE OF PYRANOSE COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-05-22 US disclosed
US-8637649-B2 Process for the preparation of (2R,3S)-2-(hydroxymethyl)-5-methoxytetrahydrofuran-3-OL and acetylated derivatives thereof, free of pyranose compounds JOHNSON MATTHEY PUBLIC LIMITED CO. (GB) 2014-01-28 US disclosed
US-20120238734-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-2-(HYDROXYMETHYL)-5-METHOXYTETRAHYDROFURAN-3-OL AND ACETYLATED DERIVATIVES THEREOF, FREE OF PYRANOSE COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-09-20 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-20140142296-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-2-(HYDROXYMETHYL)-5-METHOXYTETRAHYDROFURAN-3-OL AND ACETYLATED DERIVATIVES THEREOF, FREE OF PYRANOSE COMPOUNDS DERA, MPG, TYMS TSHR 4169/4885NR3C1 695/4885FYN 3556/4885
US-20120238734-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-2-(HYDROXYMETHYL)-5-METHOXYTETRAHYDROFURAN-3-OL AND ACETYLATED DERIVATIVES THEREOF, FREE OF PYRANOSE COMPOUNDS MRM1, DPYD, POP1 TSHR 3581/4885NR3C1 1934/4885FYN 4061/4885

“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.