SCHEMBL2854609

SCHEMBL2854609

CCCCCOC(=O)C1(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.43
TSHR P16473 4/20 0.42
PSEN1 P49768 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCA P17252 2/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL17812749 0.98 NAAA (0.48) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086397 0.98 NAAA (0.48) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL17812789 0.98 NAAA (0.48) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL3104104 0.94 ALDH1A1 (0.47) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086254 0.93 NAAA (0.43) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086076 0.93 NAAA (0.43) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086400 0.91 NAAA (0.46) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL17812502 0.91 NAAA (0.46) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086712 0.91 NAAA (0.46) NAAAHCAR2EPHX1TSHRPSEN1
SCHEMBL16086087 0.91 NAAA (0.42) NAAAHCAR2EPHX1TSHRPSEN1

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-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
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

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 NAAA 2435/4885HCAR2 272/4885EPHX1 1093/4885
US-20090088474-A1 USE OF SUBSTITUTED CYCLOPROPANE ACID DERIVATIVES FOR PRODUCING DRUGS FOR USE IN THE TREATMENT OF METABOLIC SYNDROME FFAR1, FFAR2, FFAR3 NAAA 1075/4885HCAR2 70/4885EPHX1 1395/4885

“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.