SCHEMBL5485798

SCHEMBL5485798

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP19A1 P11511 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
OPRM1 P35372 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL21553359 0.99 NLRP3 (0.36) NLRP3MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8206373 0.88 NLRP3 (0.35) NLRP3MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8579826 0.85 MEN1 (0.33) NLRP3MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8578003 0.84 MEN1 (0.32) NLRP3MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL782117 0.84 MEN1 (0.37) NLRP3MEN1KMT2AMAPK1L3MBTL1
SCHEMBL769209 0.84 MEN1 (0.37) NLRP3MEN1KMT2AMAPK1L3MBTL1
SCHEMBL6306862 0.84 MEN1 (0.37) MEN1KMT2AL3MBTL1OPRM1
SCHEMBL8575814 0.84 MEN1 (0.33) NLRP3MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12461036 0.82 TSHR (0.31) NLRP3MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5490079 0.82 L3MBTL1 (0.39) MEN1KMT2ASMN1; SMN2CYP19A1L3MBTL1

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 6 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-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 2340/4885MEN1 4803/4885KMT2A 409/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD NLRP3 2885/4885MEN1 4719/4885KMT2A 494/4885

“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.