SCHEMBL3965443

SCHEMBL3965443

O=C(c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1)c1ccon1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13606723 0.84 CYP1A2 (0.34) HTTCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL3964031 0.84 CYP1A2 (0.34) HTTCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6547658 0.82 PPARA (0.48) HTTPPARAPPARGPPARDLMNA
SCHEMBL8894826 0.81 PLA2G4B (0.46) HTTL3MBTL1
SCHEMBL8022439 0.80 PPARA (0.51) HTTPPARAPPARGPPARDLMNA
SCHEMBL6547877 0.80 L3MBTL1 (0.51) HTTLMNAMAPTL3MBTL1GAA
SCHEMBL5690281 0.79 HTT (0.47) HTTMAPTL3MBTL1GAA
SCHEMBL8894549 0.79 TP53 (0.47) HTTL3MBTL1
SCHEMBL6549825 0.78 HTT (0.43) HTTCYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL8660004 0.78 MAPT (0.51) HTTLMNAMAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-7569727-B2 N-{(4-{3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propoxy}-phenyl)-[(E)-ethoxyimino]-methyl}-2,2,2-trifluoroacetamide; exhibit valuable preventive and/or curative activity even at low rates of concentration, while being well tolerated by warm-blooded animals, fish and plants SYNGENTA CROP PROTECTION, INC. (US) 2009-08-04 US disclosed
EP-2080752-A1 Pesticidally active ketone and oxime derivatives Syngenta Participations AG (CH) 2009-07-22 EP disclosed
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-08-21 US disclosed
US-20060128670-A1 Pesticidally active ketone and oxime derivatives SYNGENTA CROP PROTECTION, INC. 2006-06-15 US disclosed
EP-1638924-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES Syngenta Participations AG (CH) 2006-03-29 EP disclosed
WO-2004113273-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-12-29 WO 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 (3 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-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 HTT 3825/4885HDAC6 1097/4885CYP1A2 252/4885
US-20060128670-A1 Pesticidally active ketone and oxime derivatives CHRM2, CHRM1, DDT HTT 3632/4885HDAC6 1483/4885CYP1A2 124/4885
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 HTT 3825/4885HDAC6 1097/4885CYP1A2 252/4885

“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.