SCHEMBL6291102

SCHEMBL6291102

CCOP(=O)(CC(Nc1cccnc1)c1cc(C)c(O)c(C)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ADAM17 P78536 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
NOTUM Q6P988 3/20 0.38
ALPL P05186 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL6291261 0.92 ALPL (0.43) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6291234 0.92 LMNA (0.39) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6290586 0.87 LMNA (0.42) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6294290 0.87 FDPS (0.42) FDPSALDH1A1TSHRCFTRGOPC
SCHEMBL27601760 0.86 FDPS (0.44) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6293883 0.84 LMNA (0.39) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6294283 0.83 FDPS (0.41) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6290667 0.82 ALPL (0.43) FDPSALDH1A1MEN1HSP90AA1ADAM17
SCHEMBL6289876 0.82 KDM4E (0.46) FDPSALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7088256 0.81 ALPL (0.44) FDPSALDH1A1MEN1HSP90AA1ADAM17

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-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

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 1382/4885ALDH1A1 3772/4885MEN1 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.