SCHEMBL13637440

SCHEMBL13637440

COC(OC)C1[C@H](C)C[C@@H]2OC(=O)C[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CES2 O00748 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
SCHEMBL11299412 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBALOX15CES2
SCHEMBL11300063 1.00 SMN1; SMN2 (0.35) SMN1; SMN2THRBALOX15CES2
SCHEMBL16976913 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL13627274 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL12087571 0.83 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL13627273 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL16976910 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL12087568 0.77 RAB9A (0.37) SMN1; SMN2THRBALOX15
SCHEMBL10305200 0.75 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL10549138 0.74 SMN1; SMN2 (0.32) SMN1; SMN2

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-20090287003-A1 Process for the production of intermediates for making prostaglandin derivatives such as latanaprost, travaprost, and bimatoprost EASTAR CHEMICAL, INC. 2009-11-19 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-20090287003-A1 Process for the production of intermediates for making prostaglandin derivatives such as latanaprost, travaprost, and bimatoprost PTGIS, PTGES, PTGES2 SMN1; SMN2 3371/4885THRB 2630/4885ALOX15 39/4885

“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.