SCHEMBL1106103

SCHEMBL1106103

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NFE2L2 Q16236 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
SCHEMBL1106160 1.00 THRB (0.43) THRBALOX15SMN1; SMN2NFE2L2
SCHEMBL10110594 0.77 SMN1; SMN2 (0.48) THRBALOX15SMN1; SMN2NFE2L2
SCHEMBL10110367 0.77 SMN1; SMN2 (0.48) THRBALOX15SMN1; SMN2
SCHEMBL16369092 0.77 SMN1; SMN2 (0.48) THRBALOX15SMN1; SMN2
SCHEMBL10119628 0.77 SMN1; SMN2 (0.48) THRBALOX15SMN1; SMN2NFE2L2
SCHEMBL11126181 0.77 SMN1; SMN2 (0.38) THRBALOX15SMN1; SMN2
SCHEMBL12757886 0.76 SMN1; SMN2 (0.41) THRBALOX15SMN1; SMN2
SCHEMBL12757887 0.76 SMN1; SMN2 (0.41) THRBALOX15SMN1; SMN2
SCHEMBL12757898 0.76 SMN1; SMN2 (0.41) THRBALOX15SMN1; SMN2
SCHEMBL12758002 0.72 SMN1; SMN2 (0.34) THRBALOX15SMN1; 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 4 patents. 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
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 THRB 16/4885ALOX15 755/4885SMN1; SMN2 4159/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 THRB 16/4885ALOX15 784/4885SMN1; SMN2 4168/4885

“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.