SCHEMBL3259018

SCHEMBL3259018

O=C(NO)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
HDAC6 Q9UBN7 6/20 0.40
KDM1A O60341 2/20 0.40
MMP1 P03956 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ESR1 P03372 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8894826 0.87 PLA2G4B (0.46) HTT
SCHEMBL8660004 0.86 MAPT (0.51) HTTCA1CA2
SCHEMBL3184172 0.86 HTT (0.38) HTT
SCHEMBL8895986 0.86 NPC1 (0.46) HTTMMP1
SCHEMBL6547877 0.86 L3MBTL1 (0.51) HTT
SCHEMBL5690281 0.85 HTT (0.47) HTT
SCHEMBL8894549 0.85 TP53 (0.47) HTT
SCHEMBL6549825 0.84 HTT (0.43) HTTMMP1
SCHEMBL6547658 0.84 PPARA (0.48) HTT
SCHEMBL6548648 0.84 L3MBTL1 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016383-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 US disclosed
US-7608631-B2 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties SYNGENTA CROP PROTECTION, INC. (US) 2009-10-27 US disclosed
US-20050288186-A1 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties SYNGENTA CROP PROTECTION, INC. 2005-12-29 US disclosed
EP-1537077-A2 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2005-06-08 EP disclosed
WO-2004020445-A2 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2004-03-11 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-20050288186-A1 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties DDT, SCO2, GSTO1 HTT 2004/4885HDAC6 1938/4885KDM1A 2013/4885
US-20100016383-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES DDT, QSOX1, SCO2 HTT 2095/4885HDAC6 1550/4885KDM1A 1595/4885

“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.