SCHEMBL5063533

SCHEMBL5063533

O=C(CO)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 9/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
ATM Q13315 1/20 0.50
MAOB P27338 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
PLOD2 O00469 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49

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
SCHEMBL19823010 0.91 GSK3B (0.61) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL12719169 0.85 MAPT (0.58) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL541208 0.84 GSK3B (1.00) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL50003 0.84 GSK3B (0.71) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL7025664 0.84 GSK3B (0.71) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL19844452 0.84 GSK3B (0.54) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL11379783 0.84 HDAC1 (0.57) GSK3BALDH1A1HPGDKDM4EALOX15
Hydrochloric Acid SCHEMBL6538348 0.83 GSK3B (0.69) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL1978734 0.81 GSK3B (0.67) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL10704692 0.81 GSK3B (0.67) GSK3BALDH1A1HPGDKDM4EALOX15

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
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (2 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 GSK3B 961/4885ALDH1A1 3519/4885HPGD 1218/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 GSK3B 961/4885ALDH1A1 3519/4885HPGD 1218/4885

“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.