SCHEMBL2857782

SCHEMBL2857782

CC(C)COC(=O)C1CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
TSHR P16473 4/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HTT P42858 1/20 0.36
SLC18A2 Q05940 1/20 0.35
CAPN9 O14815 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRR2 P28476 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
SCHEMBL1298020 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1298024 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL10329700 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297747 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297720 0.92 TSHR (0.45) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1297664 0.86 RAB9A (0.40) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297661 0.85 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL27296220 0.85 TSHR (0.43) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1296117 0.83 RAB9A (0.46) RAB9ATSHRSLC18A2
SCHEMBL1196705 0.82 RAB9A (0.45) RAB9ATSHRSLC18A2

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
US-20070007489-A1 Heat transfer medium composition SHISHIAI-KABUSHIKIGAISHA (JP) 2007-01-11 US claimed
EP-1698678-A1 HEAT CARRIER COMPOSITION Shishiai-Kabushikigaisha (JP) 2006-09-06 EP claimed
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
EP-1827415-B1 CYCLOPROPANE ACID DERIVATIVES FOR THE REDUCTION OF LIPID LEVELS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 EP 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
US-20070007489-A1 Heat transfer medium composition SHISHIAI-KABUSHIKIGAISHA (JP) 2007-01-11 US disclosed
EP-1698678-A1 HEAT CARRIER COMPOSITION Shishiai-Kabushikigaisha (JP) 2006-09-06 EP 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 RAB9A 2758/4885TSHR 1717/4885HSP90AA1 1329/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 RAB9A 2351/4885TSHR 496/4885HSP90AA1 2452/4885

“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.