SCHEMBL4928243

SCHEMBL4928243

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BTK Q06187 1/20 0.35
EPHX1 P07099 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 1/20 0.30
CYP3A4 P08684 1/20 0.30
CNR2 P34972 2/20 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
SCHEMBL4928251 1.00 CHRM2 (0.36) CHRM2CHRM1CHRM3BTKEPHX1
SCHEMBL4928242 1.00 CHRM2 (0.36) CHRM2CHRM1CHRM3BTKEPHX1
SCHEMBL4922039 0.81 CNR2 (0.33) HPGDCNR2
SCHEMBL4922045 0.81 CNR2 (0.33) HPGDCNR2
SCHEMBL4922035 0.81 CNR2 (0.33) HPGDCNR2
SCHEMBL14491535 0.80 BTK (0.31) CHRM2CHRM1CHRM3BTK
SCHEMBL27618764 0.79 BTK (0.33) CHRM2CHRM1CHRM3BTK
SCHEMBL1929339 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3BTKNR1H2
SCHEMBL1928447 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3BTKNR1H2
SCHEMBL1928441 0.77 CHRM2 (0.36) CHRM2CHRM1CHRM3BTKNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599443-B1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-12-21 EP disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
EP-1599443-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US disclosed
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004076401-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS 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 (3 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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM CHRM2 1159/4885CHRM1 1632/4885CHRM3 1252/4885
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FASN CHRM2 2787/4885CHRM1 3081/4885CHRM3 2410/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A CHRM2 1117/4885CHRM1 1613/4885CHRM3 1294/4885

“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.