SCHEMBL6290630

SCHEMBL6290630

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
ALPL P05186 5/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6289876 0.87 KDM4E (0.46) FDPSALPLPOLBTSHRCYP1A2
SCHEMBL6290573 0.83 ALPL (0.37) ALPLPOLBTSHRLMNAKDM4E
SCHEMBL6290586 0.82 LMNA (0.42) FDPSALPLPOLBTSHRLMNA
SCHEMBL6293837 0.80 LMNA (0.40) FDPSALPLPOLBTSHRLMNA
SCHEMBL6294328 0.80 ALPL (0.37) ALPLLMNAKDM4EALDH1A1
SCHEMBL6291102 0.79 FDPS (0.42) FDPSALPLCFTRGOPCPOLB
SCHEMBL6293883 0.78 LMNA (0.39) FDPSALPLPOLBTSHRLMNA
SCHEMBL6291234 0.78 LMNA (0.39) FDPSALPLPOLBTSHRCYP3A4
SCHEMBL6291261 0.74 ALPL (0.43) FDPSALPLTSHRALDH1A1KMT2A
SCHEMBL6291250 0.74 KDM4E (0.46) FDPSPOLBTSHRLMNAKDM4E

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 8 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
EP-1330463-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-07-30 EP claimed
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US claimed
WO-2002034756-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-05-02 WO 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 1382/4885ALPL 569/4885CFTR 4000/4885

“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.