Sugi Predict

Sugi Predict / Compounds / SCHEMBL3964031

SCHEMBL3964031

SCHEMBL3964031

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.31

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 1.00 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6548348 0.85 ALDH1A1 (0.36) CYP2D6HTT
SCHEMBL3965443 0.84 HTT (0.36) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6548681 0.82 HTT (0.39) HTT
SCHEMBL6548907 0.81 L3MBTL1 (0.36) HTT
SCHEMBL6548597 0.80 HTT (0.39) HTT
SCHEMBL6549633 0.79 HTT (0.38) HTT
SCHEMBL6548310 0.79 HTT (0.38) HTT
SCHEMBL6547864 0.79 HTT (0.39) HTT
SCHEMBL6547985 0.79 HTT (0.34) HTT

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 8 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
WO-2009037168-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-26 — — WO 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 CYP1A2 252/4885CYP2D6 119/4885CYP19A1 169/4885
US-20060128670-A1 Pesticidally active ketone and oxime derivatives CHRM2, CHRM1, DDT CYP1A2 124/4885CYP2D6 133/4885CYP19A1 135/4885
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 CYP1A2 252/4885CYP2D6 119/4885CYP19A1 169/4885

“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.