SCHEMBL73188

SCHEMBL73188

[CH2]/C=C(\F)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 3/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 2/20 0.37
SRD5A2 P31213 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL73189 1.00 CES2 (0.42) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL73190 0.78 CES2 (0.44) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL27832509 0.78 CES2 (0.44) CES2CES1CA1CA2ALDH1A1
SCHEMBL1283151 0.77 CES2 (0.48) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL1689645 0.74 CES2 (0.41) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL1689646 0.74 CES2 (0.41) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL1689750 0.73 GSK3B (0.43) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL1689753 0.73 GSK3B (0.43) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL28072476 0.73 CES2 (0.44) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL208022 0.72 CES2 (0.48) CES2CES1TSHRMAPK1L3MBTL1

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 31 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
EP-1979354-B1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 EP disclosed
EP-1694676-B1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-26 EP disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US 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
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 CES2 3108/4885CES1 2117/4885TSHR 2317/4885
US-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 CES2 3110/4885CES1 2628/4885TSHR 2935/4885
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE CES2 2875/4885CES1 2118/4885TSHR 2326/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX CES2 2982/4885CES1 3478/4885TSHR 1701/4885
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, RO60 CES2 3656/4885CES1 3001/4885TSHR 805/4885
US-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 CES2 2761/4885CES1 555/4885TSHR 967/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 CES2 3975/4885CES1 2651/4885TSHR 556/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 CES2 2761/4885CES1 555/4885TSHR 967/4885
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 CES2 4607/4885CES1 2314/4885TSHR 1481/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 CES2 2397/4885CES1 789/4885TSHR 2605/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 CES2 2538/4885CES1 1928/4885TSHR 3425/4885

“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.