SCHEMBL73084

SCHEMBL73084

[CH2]/C=C/c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NFE2L2 Q16236 4/20 0.38
CHAT P28329 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN11 Q06124 1/20 0.36
NR0B2 Q15466 1/20 0.36
AHR P35869 1/20 0.34
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
SCHEMBL73085 1.00 TRPA1 (0.41) TRPA1NFE2L2CHATALDH1A1KMT2A
SCHEMBL2095566 0.83 NFE2L2 (0.38) NFE2L2CHATALDH1A1PTPN11NR0B2
SCHEMBL2095564 0.83 NFE2L2 (0.38) NFE2L2CHATALDH1A1PTPN11NR0B2
SCHEMBL16950509 0.81 TRPA1 (0.41) TRPA1NFE2L2CHATALDH1A1KMT2A
SCHEMBL2093849 0.80 NFE2L2 (0.57) TRPA1NFE2L2VCP
SCHEMBL2091280 0.80 ALDH1A1 (0.54) CHATALDH1A1KMT2ANPSR1AHR
SCHEMBL2091278 0.80 ALDH1A1 (0.54) CHATALDH1A1KMT2ANPSR1AHR
SCHEMBL2093847 0.80 NFE2L2 (0.57) TRPA1NFE2L2VCP
SCHEMBL9655144 0.79 TRPA1 (0.44) TRPA1NFE2L2CHATALDH1A1KMT2A
SCHEMBL13514030 0.79 TRPA1 (0.44) TRPA1NFE2L2CHATALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-8846907-B2 Spiro-condensed indoline derivatives as pesticides SYNGENTA CROP PROTECTION LLC (US) 2014-09-30 US disclosed
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
CN-101355879-A Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-01-28 CN disclosed
US-20080306101-A1 Insecticidal Spironindane Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-12-11 US disclosed
EP-1697376-B1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-18 EP disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 US disclosed
CN-1976586-A Piperazine derivatives and their use for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-06-06 CN disclosed
CN-1894249-A Spiropiperidine derivatives for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-01-10 CN 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 (10 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 TRPA1 266/4885NFE2L2 1211/4885CHAT 71/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 TRPA1 191/4885NFE2L2 926/4885CHAT 17/4885
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE TRPA1 5/4885NFE2L2 684/4885CHAT 826/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX TRPA1 1598/4885NFE2L2 169/4885CHAT 586/4885
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, RO60 TRPA1 64/4885NFE2L2 859/4885CHAT 155/4885
US-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 TRPA1 109/4885NFE2L2 1589/4885CHAT 1469/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 TRPA1 34/4885NFE2L2 1989/4885CHAT 1078/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 TRPA1 109/4885NFE2L2 1589/4885CHAT 1469/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 TRPA1 205/4885NFE2L2 2691/4885CHAT 811/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 TRPA1 272/4885NFE2L2 2622/4885CHAT 54/4885

“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.