SCHEMBL728292

SCHEMBL728292

CCOC(=O)C1(NC(=O)Cc2c(C)cc(Cl)cc2C)CCCC(COC)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
OPRM1 P35372 1/20 0.31
P2RX7 Q99572 3/20 0.30
KRAS P01116 1/20 0.30
SHMT1 P34896 1/20 0.30
SHMT2 P34897 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 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
SCHEMBL4501235 0.87 MEN1 (0.33) MEN1KMT2APOLBPLAUPLAT
SCHEMBL2525179 0.83 P2RX7 (0.32) MEN1KMT2APOLBOPRM1P2RX7
SCHEMBL728293 0.79 ALDH1A1 (0.34) MEN1KMT2AALDH1A1POLBOPRM1
SCHEMBL1153521 0.77 LPAR1 (0.36) MEN1KMT2AGAAALDH1A1PLAU
SCHEMBL6290175 0.76 P2RX7 (0.35) MEN1KMT2APOLBOPRM1P2RX7
SCHEMBL7872058 0.76 P2RX7 (0.40) GAAP2RX7SHMT1SHMT2SMN1; SMN2
SCHEMBL12215016 0.74 P2RX7 (0.33) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL12382100 0.74 MEN1 (0.34) MEN1KMT2APLAUPLATOPRM1
SCHEMBL20021197 0.74 P2RX7 (0.33) MEN1KMT2AALDH1A1P2RX7SHMT1
SCHEMBL12257546 0.73 MEN1 (0.33) MEN1KMT2AALDH1A1PLAUPLAT

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-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-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
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 3720/4885GAA 387/4885

“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.