SCHEMBL4149763

SCHEMBL4149763

O=C(O)C1CC1C(=O)OCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35

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
SCHEMBL10329699 1.00 LMNA (0.51) LMNATP53CYP3A4GRM2GRM3
SCHEMBL21243359 0.84 TP53 (0.60) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL12670574 0.83 TP53 (0.55) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL11282546 0.81 LMNA (0.47) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL28475889 0.81 LMNA (0.47) LMNAGRM2GRM3SLC1A3SLC1A2
SCHEMBL21243331 0.79 TP53 (0.46) LMNATP53CYP3A4GRM2GRM3
SCHEMBL28376921 0.78 LMNA (0.51) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL14428796 0.76 CYP3A4 (0.51) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL29625800 0.76 TP53 (0.47) LMNATP53CYP3A4SLC1A3SLC1A2
SCHEMBL11281608 0.76 LMNA (0.53) LMNATP53CYP3A4SLC1A3SLC1A2

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-8222240-B2 Use of substituted cyclopropane acid derivatives for producing drugs for use in the treatment of metabolic syndrome SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-07-17 US disclosed
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-02 US disclosed
US-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-21 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-20080045590-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME CYP27A1, CYP11B2, CYP11B1 LMNA 3703/4885TP53 4693/4885CYP3A4 123/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 LMNA 3135/4885TP53 4852/4885CYP3A4 258/4885

“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.