SCHEMBL7198047

SCHEMBL7198047

CCOC(=O)[C@@](C)(N)CCCN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
CPB2 Q96IY4 2/20 0.41
PKM P14618 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ODC1 P11926 2/20 0.36
MMP8 P22894 1/20 0.35

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
SCHEMBL7198049 1.00 CYP1A2 (0.47) CYP1A2CYP4F2CYP4A11CPB2PKM
SCHEMBL6593255 0.94 CYP4F2 (0.47) CYP1A2CYP4F2CYP4A11CPB2PKM
SCHEMBL26986116 0.86 CYP4F2 (0.46) CYP1A2CYP4F2CYP4A11PKMTHRB
SCHEMBL22519815 0.82 CYP4F2 (0.65) CYP1A2CYP4F2CYP4A11CPB2PKM
SCHEMBL25169854 0.82 CYP1A2 (0.48) CYP1A2CYP4F2CYP4A11CPB2PKM
SCHEMBL28797858 0.82 CYP4F2 (0.44) CYP1A2CYP4F2CYP4A11PKMTHRB
SCHEMBL6589766 0.82 CYP4F2 (0.44) CYP1A2CYP4F2CYP4A11PKMTHRB
SCHEMBL8979106 0.80 MEN1 (0.53) CYP1A2CYP4F2CYP4A11CPB2PKM
SCHEMBL6595080 0.80 ODC1 (0.38) CYP1A2THRBKMT2AMAPTODC1
SCHEMBL7203818 0.80 ODC1 (0.38) CYP1A2THRBKMT2AMAPTODC1

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-6602910-B2 Treating cancer in a patient comprising administering an effective amount of substantially purified D enantiomer of difluoromethylornithine ILEX ONCOLOGY, INC. 2003-08-05 US disclosed
US-20020045663-A1 D-enantiomer of DFMO and methods of use therefor ILEX ONCOLOGY, INC. (US) 2002-04-18 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-20020045663-A1 D-enantiomer of DFMO and methods of use therefor DHODH, DDT, HADHB CYP1A2 2332/4885CYP4F2 460/4885CYP4A11 648/4885

“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.