SCHEMBL4929609

SCHEMBL4929609

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
SLC16A3 O15427 2/20 0.31
SLC16A1 P53985 2/20 0.31
CNR2 P34972 2/20 0.31
MCTS1 Q9ULC4 1/20 0.31

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
SCHEMBL4929596 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL1928886 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL1928889 1.00 ALDH1A1 (0.32) ALDH1A1CYP3A4SLC1A3SLC1A2SLC1A1
SCHEMBL4488303 0.84 NR1H2 (0.33) SLC1A3SLC1A2SLC1A1SLC16A3SLC16A1
SCHEMBL4488309 0.84 NR1H2 (0.33) SLC1A3SLC1A2SLC1A1SLC16A3SLC16A1
SCHEMBL4926051 0.84 NR1H2 (0.33) SLC1A3SLC1A2SLC1A1SLC16A3SLC16A1
SCHEMBL4926067 0.84 NR1H2 (0.33) SLC1A3SLC1A2SLC1A1SLC16A3SLC16A1
SCHEMBL1928447 0.83 CHRM2 (0.36) ALDH1A1CYP3A4
SCHEMBL1929339 0.83 CHRM2 (0.36) ALDH1A1CYP3A4
SCHEMBL1928444 0.83 CHRM2 (0.36) ALDH1A1CYP3A4

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-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-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

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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM ALDH1A1 268/4885CYP3A4 311/4885SLC1A3 874/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A ALDH1A1 212/4885CYP3A4 244/4885SLC1A3 709/4885

“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.