SCHEMBL6294283

SCHEMBL6294283

CCOP(=O)(CC(Nc1cccnc1)c1ccc(C)c(O)c1C)OCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
MDM2 Q00987 2/20 0.38
NOTUM Q6P988 2/20 0.37
ALPL P05186 3/20 0.37

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
SCHEMBL6290607 0.88 MAPT (0.33) MAPTMDM2
SCHEMBL27584131 0.87 FDPS (0.43) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL7164884 0.86 FDPS (0.51) FDPSNPC1MAPTRAB9AMDM2
SCHEMBL6291102 0.83 FDPS (0.42) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL6291261 0.80 ALPL (0.43) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL6291234 0.78 LMNA (0.39) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL6289835 0.77
SCHEMBL6290586 0.77 LMNA (0.42) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL6293883 0.76 LMNA (0.39) FDPSTSHRMEN1ALDH1A1HSP90AA1
SCHEMBL7086522 0.72

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-6872711-B2 β-substituted β-aminoethyl phosphonate derivatives ILEX ONCOLOGY RESEARCH S.A. (CH) 2005-03-29 US claimed
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US claimed
US-6872711-B2 β-substituted β-aminoethyl phosphonate derivatives ILEX ONCOLOGY RESEARCH S.A. (CH) 2005-03-29 US disclosed
EP-1330463-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-07-30 EP disclosed
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US disclosed
WO-2002034756-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-05-02 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-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 FDPS 1382/4885TSHR 4263/4885MEN1 2801/4885

“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.