SCHEMBL5492364

SCHEMBL5492364

CCOC(=O)C1(NC(=O)Cc2cc(Cl)c(Cl)cc2C)CCC(CC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7132879 0.87 MAPK1 (0.37) OPRM1SMN1; SMN2GAATSHRMEN1
SCHEMBL8907272 0.85 ADCY8 (0.40) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL7673905 0.85 GAA (0.33) OPRM1SMN1; SMN2GAAPDCD1CD274
SCHEMBL8654342 0.85 P2RX7 (0.36) OPRM1SMN1; SMN2GAAPDCD1CD274
SCHEMBL6474811 0.83 MEN1 (0.42) OPRM1SLC6A4TSHRMEN1KMT2A
SCHEMBL7872058 0.83 P2RX7 (0.40) SMN1; SMN2GAA
SCHEMBL6838460 0.83 POLB (0.37) OPRM1SMN1; SMN2GAAPSEN1PSEN2
SCHEMBL5929427 0.82 P2RX7 (0.39) SMN1; SMN2GAAPSEN1PSEN2APH1B
SCHEMBL7960229 0.82 MEN1 (0.43) OPRM1SMN1; SMN2GAATSHRMEN1
SCHEMBL27535978 0.82 SMN1; SMN2 (0.39) SMN1; SMN2GAAPDCD1CD274PSEN1

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 OPRM1 1960/4885SMN1; SMN2 4600/4885GAA 220/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD OPRM1 1743/4885SMN1; SMN2 4449/4885GAA 290/4885

“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.