SCHEMBL2853775

SCHEMBL2853775

CO/C=C(/C(=O)O)c1ccccc1C=Cc1ccccc1

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
SCHEMBL5010231 1.00 TRPA1 (0.46) TRPA1NFE2L2CYP1A2CYP2C19HSD17B10
SCHEMBL2108465 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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043600-B2 Microbiocidal compounds SYNGENTA CROP PROTECTION AG (CH) 2024-07-23 US disclosed
US-12012399-B2 Microbiocidal quinoline dihydro-(thiazine)oxazine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2024-06-18 US disclosed
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
US-11744246-B2 Preparation of mammalian oocyte for fertilization via a soluble human PH20 hyaluronidase polypeptide SYNGENTA PARTICIPATIONS AG (CH) 2023-09-05 US disclosed
EP-3717479-B1 MICROBIOCIDAL THIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-07-05 EP disclosed
EP-3941898-B1 FUNGICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-07 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-11629129-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
US-7001903-B2 Synergistic insecticidal mixtures BAYER AKTIENGESELLSCHAFT (DE) 2006-02-21 US disclosed
US-20050187215-A1 synergistic mixture of certain previously disclosed cyclic ketoenols and agonists or antagonists of nicotinic acetylcholine receptors BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-08-25 US disclosed
US-6893651-B1 Synergistic combination of cyclic ketoenol with agonists or antagonists of nicotinic acetylcholine receptors; protecting plants BAYER AKTIENGESELLSCHAFT (DE) 2005-05-17 US disclosed
US-6846777-B2 Synergistic biocidal composition THOR GMBH (DE) 2005-01-25 US disclosed
US-20040127520-A1 Synergistic insecticidal mixtures DOW AGROSCIENCES LLC 2004-07-01 US disclosed
US-6686387-B2 SPINOSYNS AND AGONISTS OR ANTAGONISTS OF NICOTINIC ACETYLCHOLINE RECEPTORS; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
US-20030199490-A1 Synergistic biocidal composition THOR GMBH (DE) 2003-10-23 US disclosed
US-20030092641-A1 Synergistic insecticidal mixtures DOW AGROSCIENCES LLC 2003-05-15 US disclosed
US-6444667-B1 OF SPINOSYNS AND AGONISTS OR ANTAGONISTS OF NICOTINIC ACETYLCHOLINE RECEPTORS FOR PROTECTING PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 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-20030092641-A1 Synergistic insecticidal mixtures CHRM3, ACHE, CHRM2 TRPA1 356/4885NFE2L2 4114/4885CYP1A2 522/4885
US-12043600-B2 Microbiocidal compounds MPO, MSR1, PRF1 TRPA1 106/4885NFE2L2 1723/4885CYP1A2 114/4885
US-20040127520-A1 Synergistic insecticidal mixtures CHRM3, ACHE, CHRM2 TRPA1 356/4885NFE2L2 4114/4885CYP1A2 522/4885
US-11882834-B2 Microbiocidal thiazole derivatives MSR1, TLR1, IFNG TRPA1 45/4885NFE2L2 1250/4885CYP1A2 352/4885
US-12012399-B2 Microbiocidal quinoline dihydro-(thiazine)oxazine derivatives TLR1, TLR5, IDO1 TRPA1 298/4885NFE2L2 650/4885CYP1A2 303/4885
US-20050187215-A1 synergistic mixture of certain previously disclosed cyclic ketoenols and agonists or antagonists of nicotinic acetylcholine receptors CHRNG, CHRM3, CHRNE TRPA1 427/4885NFE2L2 3586/4885CYP1A2 884/4885
US-11744246-B2 Preparation of mammalian oocyte for fertilization via a soluble human PH20 hyaluronidase polypeptide PHF20, FUCA1, ZP1 TRPA1 2619/4885NFE2L2 4817/4885CYP1A2 1859/4885
US-11629129-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, MSR1 TRPA1 6/4885NFE2L2 2064/4885CYP1A2 200/4885

“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.