SCHEMBL629499

SCHEMBL629499

COc1ccc2c(c1)CCC=C2O[Si](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ELANE P08246 1/20 0.46
CYP19A1 P11511 6/20 0.42
CYP11B2 P19099 6/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14172752 0.79 NPY5R (0.40) MPOCYP19A1CYP11B2ALDH1A1MAPT
SCHEMBL5607170 0.78 MPO (0.56) MPOCYP1A2CYP2D6ELANEALDH1A1
SCHEMBL15874725 0.77 MPO (0.55) MPOELANEALDH1A1MAPTKDM4E
SCHEMBL31285043 0.76 MPO (0.66) MPOCYP1A2CYP2D6ELANECYP19A1
SCHEMBL316976 0.76 MPO (0.66) MPOCYP1A2CYP2D6ELANECYP19A1
SCHEMBL12119770 0.76 MPO (0.66) MPOCYP1A2CYP2D6ELANECYP19A1
SCHEMBL29446604 0.76 CES1 (0.35) MAPTSMN1; SMN2
SCHEMBL15875733 0.75 MPO (0.54) MPOCYP1A2CYP2D6ELANECYP19A1
SCHEMBL5607172 0.75 MPO (0.54) MPOELANEALDH1A1MAPTKDM4E
SCHEMBL6552114 0.74 MPO (0.64) MPOCYP1A2CYP2D6ELANECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC MPO 1057/4885CYP1A2 2667/4885CYP2D6 2951/4885

“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.