SCHEMBL4470834

SCHEMBL4470834

NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.42
HTT P42858 1/20 0.35
AKT1 P31749 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CLK2 P49760 1/20 0.31
PRKX P51817 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
PRKG1 Q13976 1/20 0.31
PKN2 Q16513 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
STK17A Q9UEE5 1/20 0.31
TTR P02766 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
Hydrochloric Acid SCHEMBL4040219 0.98 PLAU (0.41) PLAUHTTAKT1DYRK3ROCK2
SCHEMBL7982269 0.95 PLAU (0.41) PLAUHTTTTR
SCHEMBL7977322 0.94 PLAU (0.40) PLAUHTT
Hydrochloric Acid SCHEMBL31538884 0.94 PLAU (0.40) PLAUHTT
SCHEMBL7977389 0.92 PLAU (0.50) PLAUHTTAKT1DYRK3ROCK2
Hydrochloric Acid SCHEMBL31538885 0.91 PLAU (0.49) PLAUHTTTTR
SCHEMBL8408754 0.91 HTT (0.39) PLAUHTTMAPTHPGDMAPK1
SCHEMBL8408794 0.91 HTT (0.39) PLAUHTTMAPTHPGDMAPK1
SCHEMBL7977888 0.90 KDM4E (0.36) PLAUHTTMAPTHPGDMAPK1
SCHEMBL3138415 0.88 HTT (0.37) PLAUHTTMAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US claimed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO claimed
JP-9249610-A None JP disclosed
US-7638514-B2 Agriculture SYNGENTA CROP PROTECTION, INC. (US) 2009-12-29 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-20070142229-A1 Pesticidally active phenol derivatives SYNGENTA CROP PROTECTION, INC. 2007-06-21 US disclosed
EP-1659863-A2 PESTICIDALLY ACTIVE PHENOL DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 EP disclosed
WO-2005019147-A2 PESTICIDALLY ACTIVE PHENOL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-03 WO disclosed
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
JP-H09249610-A DIHALOPROPENE COMPOUND, INSECTICIDE CONTAINING THE SAME COMPOUND AS ACTIVE INGREDIENT AND ITS PRODUCING INTERMEDIATE SUMITOMO CHEM CO LTD 1997-09-22 JP disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 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 (1 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-20070142229-A1 Pesticidally active phenol derivatives DDT, QSOX1, CHRM1 PLAU 4631/4885HTT 2474/4885AKT1 1298/4885

“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.