SCHEMBL734041

SCHEMBL734041

CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCC(CCOC)CC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL732395 0.90 KMT2A (0.30) KMT2ASMN1; SMN2
SCHEMBL782407 0.84 GABRA1 (0.31) KMT2ATP53L3MBTL1GABRA1GABRG2
SCHEMBL732419 0.83 POLB (0.31) POLB
SCHEMBL733974 0.83 KMT2A (0.32) KMT2ASMN1; SMN2
SCHEMBL768851 0.82 KMT2A (0.33) KMT2ATP53L3MBTL1POLBMAPK1
SCHEMBL782511 0.80 HDAC3 (0.33) KMT2ATP53L3MBTL1POLBMAPK1
SCHEMBL782541 0.77 KMT2A (0.31) KMT2A
SCHEMBL782336 0.77 KCNH2 (0.31) TP53L3MBTL1
SCHEMBL12231756 0.77 KMT2A (0.32) KMT2A
SCHEMBL782586 0.76 CRHR1 (0.34) KDM4ETP53POLBGABRA1GABRG2

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 KMT2A 3720/4885KDM4E 2058/4885TP53 3141/4885

“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.