SCHEMBL5490079

SCHEMBL5490079

CCOC(=O)C1(OC(=O)Cc2cc(C)c(C)cc2C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 4/20 0.32
OPRM1 P35372 3/20 0.32
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 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
SCHEMBL15472979 0.87 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3603326 0.86 MEN1 (0.34) L3MBTL1SMN1; SMN2CYP19A1MEN1KMT2A
SCHEMBL3598240 0.86 MEN1 (0.34) L3MBTL1SMN1; SMN2CYP19A1MEN1KMT2A
SCHEMBL782518 0.84 L3MBTL1 (0.40) L3MBTL1MEN1KMT2APOLBOPRM1
SCHEMBL13548001 0.84 ALDH1A1 (0.36) SMN1; SMN2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL13548040 0.83 KMT2A (0.40) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13548044 0.83 KMT2A (0.34) L3MBTL1SMN1; SMN2CYP19A1MEN1KMT2A
SCHEMBL12029957 0.83 FFAR4 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL13548024 0.82 TSHR (0.36) SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL5485798 0.82 NLRP3 (0.35) L3MBTL1SMN1; SMN2CYP19A1MEN1KMT2A

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 L3MBTL1 1645/4885SMN1; SMN2 4600/4885CYP19A1 88/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD L3MBTL1 1496/4885SMN1; SMN2 4449/4885CYP19A1 52/4885

“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.