SCHEMBL734042

SCHEMBL734042

CCOC(=O)C1(OC(=O)Cc2c(C)cc(C)cc2C)CCC(CCOC)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30
NLRP3 Q96P20 1/20 0.30
KDM4E B2RXH2 1/20 0.30
AKR1C3 P42330 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
SCHEMBL8578003 0.84 MEN1 (0.32) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8579826 0.83 MEN1 (0.33) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL12461036 0.83 TSHR (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL782644 0.82 L3MBTL1 (0.34) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8578647 0.82 MEN1 (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL21553359 0.81 NLRP3 (0.36) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL5485798 0.81 NLRP3 (0.35) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL769209 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8576670 0.80 MEN1 (0.31) MEN1KMT2AALDH1A1GAAOPRM1
SCHEMBL8206373 0.79 NLRP3 (0.35) MEN1KMT2AALDH1A1GAAOPRM1

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
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO 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-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA MEN1 4120/4885KMT2A 3720/4885ALDH1A1 1790/4885

“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.