SCHEMBL4748073

SCHEMBL4748073

CC(C)(C)OC(=O)C12CCCC1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP19A1 P11511 1/20 0.40
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.37
ELANE P08246 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT6 P42226 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36
STS P08842 1/20 0.36
MT-CO2 P00403 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4748075 0.78 KMT2A (0.42) KMT2AL3MBTL1ALDH1A1MEN1HPGD
SCHEMBL4748061 0.76 KMT2A (0.42) KMT2AL3MBTL1ALDH1A1MEN1STS
SCHEMBL16724580 0.70 RORC (0.45) ALDH1A1CYP19A1STS
SCHEMBL2670728 0.68 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1CYP3A4ACHE
SCHEMBL6785489 0.66 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1MEN1CYP3A4
SCHEMBL705872 0.66 KMT2A (0.42) KMT2AL3MBTL1ALDH1A1MEN1CYP3A4
SCHEMBL4748083 0.66 MAPK1 (0.31)
SCHEMBL2158292 0.65 DRD2 (0.53) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL31334693 0.65 NPFFR1 (0.53) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29043063 0.65 ALDH1A1 (0.52) KMT2AL3MBTL1ALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885ALDH1A1 2730/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885ALDH1A1 2730/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885L3MBTL1 1846/4885ALDH1A1 2730/4885

“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.