SCHEMBL4364573

SCHEMBL4364573

O=C(O)c1c(Cl)c(Cl)c(C(=O)OC(=O)c2c(Cl)c(Cl)c(C(=O)O)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DAO P14920 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
SCHEMBL9815889 0.86 CES2 (0.40) ALDH1A1HSD17B10CES2CES1
SCHEMBL6740928 0.85 HTT (0.32) DPP4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL4899263 0.83 DPP4 (0.43) DPP4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL70425 0.83 DPP4 (0.43) DPP4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL28622150 0.82 KDM4E (0.33) DPP4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL162169 0.80 CA12 (0.41) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
Dacthal SCHEMBL8539721 0.80 CA12 (0.41) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL7882999 0.80 HTT (0.32) DPP4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL205832 0.80 HTT (0.45) DPP4ALDH1A1KDM4EHSD17B10HTT
Hydrochloric Acid SCHEMBL11671966 0.80 DPP4 (0.42) DPP4ALDH1A1KDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112369-B2 Nano-sized polymer-metal composites BRIDGESTONE CORPORATION (JP) 2006-09-26 US claimed
US-20060083926-A1 NANO-SIZED POLYMER-METAL COMPOSITES BRIDGESTONE CORPORATION (JP) 2006-04-20 US claimed
JP-62260871-A None JP disclosed
US-7626028-B2 Use of quinaldine and naphthaline derivatives as crystallisation modifiers BASF AKTIENGESELLSCHAFT (DE) 2009-12-01 US disclosed
US-7112369-B2 Nano-sized polymer-metal composites BRIDGESTONE CORPORATION (JP) 2006-09-26 US disclosed
US-20060150866-A1 Use of quinaldine and naphthaline derivatives as crystallisation modifiers BASF AKTIENGESSELLSCHAFT (DE) 2006-07-13 US disclosed
US-20060083926-A1 NANO-SIZED POLYMER-METAL COMPOSITES BRIDGESTONE CORPORATION (JP) 2006-04-20 US disclosed
JP-S62260871-A RESIN COMPOSITION FOR POWDER COATING DAINIPPON INK & CHEM INC 1987-11-13 JP disclosed
US-4022817-A Esters prepared from diacylium complexes of tetrahaloterephthalic acid STANDARD OIL COMPANY (INDIANA) (US) 1977-05-10 US disclosed
US-3953481-A Diacylium complexes of tetrahaloterephthalic acid STANDARD OIL COMPANY (US) 1976-04-27 US 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-20060150866-A1 Use of quinaldine and naphthaline derivatives as crystallisation modifiers CBR3, CYB5R3, CBR1 DPP4 4618/4885ALDH1A1 2306/4885KDM4E 4210/4885

“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.