SCHEMBL5489679

SCHEMBL5489679

CCOC(=O)COC(=O)Cc1cc(Cl)c(C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 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
SCHEMBL11810881 0.84 KMT2A (0.43) NLRP3SMN1; SMN2KMT2AHCAR2MAPT
SCHEMBL3340926 0.80 TDP1 (0.41) SMN1; SMN2KMT2AHCAR2TDP1PKM
SCHEMBL72627 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AHCAR2MAPTGAA
Hydrochloric Acid SCHEMBL72626 0.77 DPP4 (0.40) SMN1; SMN2KMT2AHCAR2MAPTGAA
SCHEMBL2126764 0.75 EGFR (0.43) SMN1; SMN2ALDH1A1KDM4EKMT2AHCAR2
SCHEMBL6307607 0.75 NLRP3 (0.48) NLRP3SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL6839533 0.75 NLRP3 (0.51) NLRP3SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5463185 0.74 POLB (0.45) ALDH1A1KDM4EKMT2AMAPTGAA
SCHEMBL855301 0.73 ALDH1A1 (0.44) NLRP3SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL21352047 0.73 KMT2A (0.40) SMN1; SMN2ALDH1A1KMT2AHCAR2MAPT

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-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-6933261-B2 2,4,5-Trisubstituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2005-02-17 US disclosed
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides LIEB FOLKER (DE) 2003-09-11 US disclosed
US-6511942-B1 Animal husbandry, veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 2003-01-28 US disclosed
US-6110872-A 3-(2,4,5-TRISUBSTITUTED PHENYL), 4-HYDROXY,5,5-(CYCLOALKYL OR HETEROCYCLOALKYL)PYRROLIN-2-ONE AND DERIVATIVES; METHOD OF MAKING BY INTRAMOLECULAR CONDENSATION OF SPECIFIED COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 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 (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-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, PDHX NLRP3 2340/4885SMN1; SMN2 4600/4885ALDH1A1 1592/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD NLRP3 2885/4885SMN1; SMN2 4449/4885ALDH1A1 855/4885

“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.