SCHEMBL10099477

SCHEMBL10099477

CCCCOC1C(OC(C)=O)[C@H](OCCCC)C(COC(C)=O)O[C@@H]1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NR3C1 P04150 1/20 0.47
FYN P06241 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2B P18089 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HSD17B10 Q99714 3/20 0.45
THRB P10828 2/20 0.45
CYP2D6 P10635 2/20 0.45
CA2 P00918 10/20 0.44
CA12 O43570 9/20 0.44
CA1 P00915 9/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA9 Q16790 7/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL14038054 0.87 TSHR (0.39) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL16127051 0.86 TSHR (0.48) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL16126907 0.86 CYP2D6 (0.55) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL16234424 0.85 ALDH1A1 (0.39) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL6972712 0.84 TSHR (0.46) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL6983984 0.84 THRB (0.53) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL6976048 0.84 THRB (0.53) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL17524326 0.84 CYP2D6 (0.53) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL16126902 0.83 CYP2D6 (0.55) TSHRNR3C1FYNADRA2AADORA3
SCHEMBL16126900 0.83 CYP2D6 (0.55) TSHRNR3C1FYNADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116066-A1 EFFICIENT AND SCALABLE PROCESS FOR THE MANUFACTURE OF FONDAPARINUX SODIUM RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2012-05-10 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 (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-20120116066-A1 EFFICIENT AND SCALABLE PROCESS FOR THE MANUFACTURE OF FONDAPARINUX SODIUM F11, F10, F2 TSHR 2627/4885NR3C1 4853/4885FYN 443/4885

“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.