SCHEMBL6324830

SCHEMBL6324830

CC(C)(C)OC(=O)COc1cc(CNCCc2ccccn2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 5/20 0.51
TP53 P04637 2/20 0.51
BCHE P06276 2/20 0.50
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTT P42858 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
SMARCA2 P51531 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL6324640 0.81 BCHE (0.70) SLC2A1SMN1; SMN2ALDH1A1TP53BCHE
SCHEMBL6322178 0.78 RAF1 (0.76) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6325964 0.77 KMT2A (0.52) SLC2A1SMN1; SMN2ALDH1A1TP53BCHE
SCHEMBL6324807 0.76 SLC2A1 (0.55) SLC2A1SMN1; SMN2ALDH1A1TP53BCHE
SCHEMBL7279749 0.73 SLC2A1 (0.89) SLC2A1SMN1; SMN2ALDH1A1BCHECYP2D6
SCHEMBL14078228 0.72 BCHE (0.62) SLC2A1SMN1; SMN2ALDH1A1BCHECYP2D6
SCHEMBL8554570 0.71 MAPT (0.40) SMN1; SMN2ALDH1A1CYP2C19CYP2C9KDM4E
SCHEMBL6322772 0.71 BCHE (0.72) ALDH1A1BCHEKMT2AMEN1
SCHEMBL19532604 0.71 SLC2A1 (1.00) SLC2A1SMN1; SMN2ALDH1A1TP53BCHE
SCHEMBL25300742 0.71 MTNR1A (0.56) SLC2A1SMN1; SMN2ALDH1A1BCHEHTT

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-20050228017-A1 Novel anticancer compounds MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE 2005-10-13 US disclosed
EP-1442018-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-08-04 EP disclosed
WO-2003037865-A1 NOVEL ANTICANCER COMPOUNDS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-05-08 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-20050228017-A1 Novel anticancer compounds TP53, ABCG2, MCL1 SLC2A1 320/4885SMN1; SMN2 3455/4885ALDH1A1 211/4885

“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.