SCHEMBL10110367

SCHEMBL10110367

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
AKT1 P31749 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
SCHEMBL16369092 1.00 SMN1; SMN2 (0.48) SMN1; SMN2THRBALOX15CA1CA9
SCHEMBL11955197 0.78 THRB (0.45) SMN1; SMN2THRBALOX15
SCHEMBL1106103 0.77 THRB (0.43) SMN1; SMN2THRBALOX15
SCHEMBL1106160 0.77 THRB (0.43) SMN1; SMN2THRBALOX15
SCHEMBL14715973 0.77 SMN1; SMN2 (0.39) SMN1; SMN2THRBALOX15
SCHEMBL22538631 0.75 THRB (0.40) SMN1; SMN2THRBALOX15
SCHEMBL16432134 0.75 THRB (0.54) SMN1; SMN2THRBALOX15AKT1
SCHEMBL22591175 0.74 THRB (0.36) SMN1; SMN2THRBALOX15
SCHEMBL12361312 0.73 SMN1; SMN2 (0.35) SMN1; SMN2THRBALOX15
SCHEMBL1106080 0.72 THRB (0.40) SMN1; SMN2THRBALOX15

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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 SMN1; SMN2 4168/4885THRB 16/4885ALOX15 784/4885

“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.