SCHEMBL2027735

SCHEMBL2027735

CCCCCC=C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PPARG P37231 2/20 0.35
PDIA3 P30101 1/20 0.35
PDIA6 Q15084 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TYR P14679 1/20 0.34
PRKCA P17252 6/20 0.34
CYP1A2 P05177 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL27471326 0.93 TSHR (0.35) TSHR
SCHEMBL2029412 0.74 APOBEC3A (0.37) TSHRPPARGPDIA3PDIA6NFKB1
SCHEMBL2029410 0.74 APOBEC3A (0.37) TSHRPPARGPDIA3PDIA6NFKB1
SCHEMBL5423344 0.73 TSHR (0.41) TSHRPPARGPDIA3PDIA6TYR
SCHEMBL24740595 0.72 PRKCA (0.38) TSHRPPARGPDIA3PDIA6TYR
SCHEMBL9063670 0.70
SCHEMBL1797486 0.67 TSHR (0.44) TSHRPPARGNFKB1NFKB2RELA
SCHEMBL21300 0.67 TSHR (0.44) TSHRPPARGNFKB1NFKB2RELA
SCHEMBL14915686 0.67 TSHR (0.44) TSHRPPARGNFKB1NFKB2RELA
SCHEMBL15618662 0.67 TSHR (0.44) TSHRPPARGNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513082-B1 New dioxalane and dioxane derivatives and method for producing same BAYER CROPSCIENCE AG (DE) 2013-10-02 EP claimed
CN-102656155-B Dioxolane and dioxane derivatives and process for preparing same BAYER CROPSCIENCE AG 2015-01-14 CN disclosed
EP-2513082-A1 NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF Bayer CropScience AG (DE) 2012-10-24 EP disclosed
CN-102656155-A Novel dioxolane and dioxane derivatives and process for their preparation BAYER CROPSCIENCE AG 2012-09-05 CN disclosed
US-8222435-B2 Dioxolane and dioxane derivatives and a process for their preparation BAYER CROPSCIENCE AG (DE) 2012-07-17 US disclosed
US-8222435-B2 Dioxolane and dioxane derivatives and a process for their preparation BAYER CROPSCIENCE AG (DE) 2012-07-17 US disclosed
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011073100-A1 NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (1 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-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation ACOX1, CYP4X1, ANTXR2 TSHR 1572/4885PPARG 2495/4885PDIA3 254/4885

“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.