SCHEMBL740949

SCHEMBL740949

CC(C)(C)OC(=O)[C@]1(C)CN(CCc2ccccc2)C(=O)C1[C@@H](O)C[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 8/20 0.38
OPRM1 P35372 7/20 0.38
KCNH2 Q12809 7/20 0.38
POLB P06746 2/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HSD17B2 P37059 1/20 0.33
SCN9A Q15858 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2762012 0.89 SIGMAR1 (0.41) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL3979406 0.87 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL2242524 0.81 KMT2A (0.36) SMN1; SMN2KMT2ACYP3A4HTT
SCHEMBL741073 0.77 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL15710921 0.72 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL741114 0.72 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL2762013 0.72 SIGMAR1 (0.39) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL741181 0.70 POLB (0.40) SMN1; SMN2L3MBTL1SIGMAR1POLBPLA2G10
SCHEMBL740806 0.68 POLB (0.39) SMN1; SMN2L3MBTL1SIGMAR1OPRM1KCNH2
SCHEMBL10073915 0.66 FFAR4 (0.41) L3MBTL1SIGMAR1KMT2ACYP3A4

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-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 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-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY SMN1; SMN2 4443/4885L3MBTL1 4479/4885SIGMAR1 2640/4885

“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.