SCHEMBL6290700

SCHEMBL6290700

CCOP(=O)(CC(Nc1ccc(C)nc1)c1cc(O)c(C)c(OC)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CCNT1 O60563 6/20 0.35
CDK9 P50750 6/20 0.35
GRM5 P41594 3/20 0.34
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTK2 Q05397 1/20 0.32
ROCK2 O75116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6293883 0.89 LMNA (0.39) L3MBTL1SMN1; SMN2TSHR
SCHEMBL6291249 0.87 CCNT1 (0.35) CA12CA1CA2CA9CCNT1
SCHEMBL6293877 0.84 CCNT1 (0.34) CA12CA1CA2CA9CCNT1
SCHEMBL6290664 0.83 L3MBTL1 (0.33) CA12CA1CA2CA9L3MBTL1
SCHEMBL6290586 0.78 LMNA (0.42) L3MBTL1SMN1; SMN2TSHR
SCHEMBL6291234 0.77 LMNA (0.39) L3MBTL1SMN1; SMN2TSHR
SCHEMBL6290607 0.76 MAPT (0.33) CCNT1CDK9GRM5
SCHEMBL6289876 0.75 KDM4E (0.46) L3MBTL1SMN1; SMN2TSHR
SCHEMBL6293837 0.74 LMNA (0.40) SMN1; SMN2TSHR
SCHEMBL6291261 0.73 ALPL (0.43) L3MBTL1TSHR

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 CA12 4750/4885CA1 4825/4885CA2 4867/4885

“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.