SCHEMBL3266568

SCHEMBL3266568

CC(C)(C)OC(=O)Nc1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.39
FAAH O00519 9/20 0.37
MAPKAPK2 P49137 2/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CYP17A1 P05093 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL8896979 0.84 HTT (0.71) HTTRECQL
SCHEMBL4045393 0.82 CA12 (0.45) HTTCA12CA1CA2CA9
SCHEMBL7979163 0.81 HTT (0.47) HTT
SCHEMBL8654912 0.80 HTT (0.40) HTT
SCHEMBL8077543 0.79 NPC1 (0.47) HTTRECQL
SCHEMBL8660004 0.79 MAPT (0.51) HTTCA1CA2
SCHEMBL6547877 0.79 L3MBTL1 (0.51) HTT
SCHEMBL8060875 0.78 HTT (0.48) HTT
SCHEMBL13528419 0.78 HTT (0.43) HTT
SCHEMBL8659377 0.78 HTT (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517881-B1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-02 EP disclosed
US-7414064-B2 4-(3,3-dihalo-allyloxy) phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. (US) 2008-08-19 US disclosed
US-20070142445-A1 4-(3,3-Dihalo-Allyloxy) Phenoxy Alkyl Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-06-21 US disclosed
US-7192965-B2 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-03-20 US disclosed
US-20050245583-A1 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 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 (2 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-20050245583-A1 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives DDT, RER1, SCN7A HTT 1355/4885RECQL 1110/4885FAAH 2459/4885
US-20070142445-A1 4-(3,3-Dihalo-Allyloxy) Phenoxy Alkyl Derivatives DDT, RER1, SCN7A HTT 1355/4885RECQL 1110/4885FAAH 2459/4885

“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.