SCHEMBL728293

SCHEMBL728293

CCOC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2C)CCCC(COC)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4501238 0.88 ALDH1A1 (0.35) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL2525180 0.84 NPSR1 (0.36) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL728292 0.79 MEN1 (0.32) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL6290176 0.78 MEN1 (0.35) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL3732991 0.76 ALDH1A1 (0.32) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL1153522 0.76 MEN1 (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2947754 0.75 KMT2A (0.33) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL2433660 0.74 TSHR (0.36) KMT2AMEN1MAPTTDP1SMN1; SMN2
SCHEMBL16463001 0.72 OPRM1 (0.36) KMT2AMEN1OPRM1MAPTSMN1; SMN2
SCHEMBL7960139 0.69 POLB (0.34) ALDH1A1KMT2AMEN1POLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 1790/4885NPSR1 1884/4885KMT2A 3720/4885

“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.