SCHEMBL13052302

SCHEMBL13052302

CCNC(=O)OC1=C(c2cc(C)c(C)cc2C)C(=O)OC12CCN(OC)CC2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 5/20 0.31
ACHE P22303 5/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL782382 0.87 L3MBTL1 (0.34) KMT2AL3MBTL1
SCHEMBL12362067 0.83 BCHE (0.32) KDM4EMEN1POLBGAAMAPT
SCHEMBL782275 0.83 L3MBTL1 (0.32) L3MBTL1
SCHEMBL12231732 0.81 BCHE (0.30) BCHEACHE
SCHEMBL732799 0.81 SLC6A3 (0.31) THRB
SCHEMBL782197 0.80 TSHR (0.37) KDM4EMEN1POLBGAAKMT2A
SCHEMBL12214982 0.80 POLB (0.31) KDM4EPOLB
SCHEMBL14464274 0.80 POLB (0.31) KDM4EPOLB
SCHEMBL13039867 0.80 BCHE (0.30) BCHEACHE
SCHEMBL782574 0.80 HDAC3 (0.31) KMT2A

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
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-8318956-B2 Spiroheterocyclic tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
WO-2010133337-A1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 US disclosed
US-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-25 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-20100298145-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ KDM4E 4133/4885MEN1 4277/4885POLB 2155/4885
US-20130012384-A1 Spiroheterocyclic Tetronic Acid Derivatives DDT, PTPRG, WIZ KDM4E 4133/4885MEN1 4277/4885POLB 2155/4885

“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.