SCHEMBL5010231

SCHEMBL5010231

CO/C=C(/C(=O)O)c1ccccc1/C=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
NFE2L2 Q16236 3/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CAPN1 P07384 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BACE1 P56817 1/20 0.40
SNCA P37840 2/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL2108457 1.00 TRPA1 (0.46) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL2108465 1.00 TRPA1 (0.46) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL2853775 1.00 TRPA1 (0.46) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7139094 0.91 MAOB (0.42) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7139096 0.91 MAOB (0.42) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL28354139 0.88 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7170869 0.88 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL29358897 0.88 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL204249 0.88 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL7170865 0.88 TRPA1 (0.44) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240041028-A1 DELIVERY SYSTEM FOR PLANT PROTECTION OMYA INTERNATIONAL AG (CH) 2024-02-08 US disclosed
US-11882834-B2 Microbiocidal thiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2024-01-30 US disclosed
EP-4271185-A1 DELIVERY SYSTEM FOR PLANT PROTECTION Omya International AG (CH) 2023-11-08 EP disclosed
EP-3244732-B1 USE OF SURFACE-REACTED CALCIUM CARBONATE AS CARRIER FOR AGROCHEMICAL COMPOUNDS OMYA INT AG (CH) 2023-05-03 EP disclosed
US-11566140-B2 Exterior coating composition TROY CORPORATION (US) 2023-01-31 US disclosed
US-11535594-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-12-27 US disclosed
WO-2022144403-A1 DELIVERY SYSTEM FOR PLANT PROTECTION OMYA INTERNATIONAL AG (CH) 2022-07-07 WO disclosed
US-11192867-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-12-07 US disclosed
US-11154060-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-10-26 US disclosed
US-11066375-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-20 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
WO-2016113289-A1 USE OF SURFACE-REACTED CALCIUM CARBONATE AS CARRIER FOR AGROCHEMICAL COMPOUNDS OMYA INTERNATIONAL AG (CH) 2016-07-21 WO disclosed
EP-3045042-A1 USE OF SURFACE-REACTED CALCIUM CARBONATE AS CARRIER FOR AGROCHEMICAL COMPOUNDS Omya International AG (CH) 2016-07-20 EP disclosed
US-8314146-B2 Thioamide compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-11-20 US disclosed
US-8283475-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-10-09 US disclosed
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-6846777-B2 Synergistic biocidal composition THOR GMBH (DE) 2005-01-25 US disclosed
US-20030199490-A1 Synergistic biocidal composition THOR GMBH (DE) 2003-10-23 US disclosed
US-5466693-A FOE USE IN THE CULTIVATION OF RICE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-14 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 (8 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-11882834-B2 Microbiocidal thiazole derivatives MSR1, TLR1, IFNG TRPA1 45/4885NFE2L2 1250/4885CYP1A2 352/4885
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR TRPA1 2917/4885NFE2L2 2461/4885CYP1A2 23/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR TRPA1 2917/4885NFE2L2 2461/4885CYP1A2 23/4885
US-11192867-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 TRPA1 291/4885NFE2L2 1600/4885CYP1A2 172/4885
US-11066375-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 TRPA1 305/4885NFE2L2 1816/4885CYP1A2 107/4885
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 TRPA1 1720/4885NFE2L2 3757/4885CYP1A2 415/4885
US-11535594-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 TRPA1 6/4885NFE2L2 1817/4885CYP1A2 305/4885
US-11154060-B2 Microbiocidal oxadiazole derivatives MPO, MSR1, NOX3 TRPA1 536/4885NFE2L2 2372/4885CYP1A2 51/4885

“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.