SCHEMBL3969007

SCHEMBL3969007

CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.35
CNR2 P34972 4/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRM2 P08172 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
SCHEMBL20447644 0.82 ALDH1A1 (0.36) CHRM3ALDH1A1CYP1A2KEAP1NFE2L2
SCHEMBL600028 0.73 MAPK1 (0.32) CHRM3ALDH1A1CYP1A2ALOX15CHRM2
SCHEMBL17042075 0.72 HRH1 (0.43)
SCHEMBL328752 0.70 HSD11B1 (0.31) ALDH1A1CYP1A2
SCHEMBL14321417 0.67 CYP3A4 (0.38)
SCHEMBL354893 0.66 CHRM3 (0.34) CHRM3ALDH1A1CYP1A2CHRM2
SCHEMBL353649 0.66 LMNA (0.32) CHRM3
SCHEMBL9309557 0.66
SCHEMBL15520559 0.65 CRBN (0.34) CYP1A2ATM
SCHEMBL5024251 0.65 NOS1 (0.33) ALDH1A1ALOX15

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-1601671-B1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
US-7148246-B2 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-12-12 US disclosed
EP-1601671-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-12-07 EP disclosed
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004076447-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC CHRM3 2415/4885CNR2 302/4885ALDH1A1 159/4885

“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.