SCHEMBL6312743

SCHEMBL6312743

COc1cc(/C(=C\Nc2cnccn2)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KDM4E B2RXH2 5/20 0.35
CHEK1 O14757 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
FTO Q9C0B1 1/20 0.35
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6307825 1.00 TSHR (0.36) TSHRKDM4ECHEK1KMT2AMEN1
SCHEMBL6309282 0.85 TSHR (0.43) TSHRKDM4ECHEK1KMT2AMEN1
SCHEMBL6313757 0.83 SLC22A12 (0.38) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL6313478 0.83 SLC22A12 (0.38) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL7077622 0.83 SLC22A12 (0.38) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL6307228 0.82 LMNA (0.48) TSHRKDM4EKMT2AMEN1POLB
SCHEMBL6305958 0.80 TSHR (0.41) TSHRKDM4ECHEK1KMT2AMEN1
SCHEMBL6307314 0.80 TSHR (0.41) TSHRKDM4ECHEK1KMT2AMEN1
SCHEMBL6310297 0.80 KDM4E (0.38) TSHRKDM4ECHEK1KMT2AMEN1
SCHEMBL6310289 0.80 KDM4E (0.38) TSHRKDM4ECHEK1KMT2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1489596-A Alpha-substituted beta-aminoethylphosphonates �Ʒ� 2004-04-14 CN claimed
US-6706698-B2 ANTICHOLESTEROL AGENTS ILEX PRODUCTS, INC. 2004-03-16 US claimed
EP-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP claimed
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US claimed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 WO claimed
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate ILEX PRODUCTS, INC. 2005-08-25 US disclosed
CN-1489596-A Alpha-substituted beta-aminoethylphosphonates �Ʒ� 2004-04-14 CN disclosed
US-6706698-B2 ANTICHOLESTEROL AGENTS ILEX PRODUCTS, INC. 2004-03-16 US disclosed
EP-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP disclosed
US-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives PHAN HIEU TRUNG (CH) 2003-06-19 US disclosed
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US disclosed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 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 (3 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-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 TSHR 4540/4885KDM4E 1456/4885CHEK1 4652/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 TSHR 4540/4885KDM4E 1456/4885CHEK1 4652/4885
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate APOB, LDLR, HDLBP TSHR 4237/4885KDM4E 1687/4885CHEK1 4767/4885

“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.