SCHEMBL1980391

SCHEMBL1980391

O=C(O)C(=O)C=C1COCO1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL1980389 1.00 APOBEC3A (0.36) APOBEC3AMCOLN3APOBEC3G
SCHEMBL10330326 0.73 APOBEC3A (0.37) APOBEC3AMCOLN3APOBEC3G
SCHEMBL1980784 0.72 APOBEC3A (0.34) APOBEC3AMCOLN3APOBEC3G
SCHEMBL1979278 0.72 APOBEC3A (0.34) APOBEC3AMCOLN3APOBEC3G
SCHEMBL6578677 0.62
Fumaric Acid SCHEMBL5409099 0.60 TSHR (0.39)
SCHEMBL2040134 0.57
SCHEMBL326495 0.51
SCHEMBL3370693 0.49
Oxalic Acid SCHEMBL28626052 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586753-B2 Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
EP-2513063-B1 Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-11-06 EP disclosed
EP-2513082-B1 New dioxalane and dioxane derivatives and method for producing same BAYER CROPSCIENCE AG (DE) 2013-10-02 EP disclosed
EP-2513063-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-10-24 EP 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
US-8222435-B2 Dioxolane and dioxane derivatives and a process for their preparation BAYER CROPSCIENCE AG (DE) 2012-07-17 US disclosed
US-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011073101-A1 METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-23 WO 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
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation BAYER CROPSCIENCE AG (DE) 2011-06-23 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-20110152532-A1 Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives AADAC, CYP4X1, CYP4Z1 APOBEC3A 780/4885MCOLN3 4743/4885APOBEC3G 915/4885
US-20110152531-A1 Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation ACOX1, CYP4X1, ANTXR2 APOBEC3A 2664/4885MCOLN3 2992/4885APOBEC3G 3115/4885

“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.