SCHEMBL6307228

SCHEMBL6307228

COc1cc(/C(=C\Nc2cccnc2)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ERN1 O75460 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL6313089 0.94 LMNA (0.45) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6314372 0.94 LMNA (0.45) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6314378 0.88 BRAF (0.44) LMNAGAAALDH1A1MAPTRAB9A
SCHEMBL6314548 0.86 LMNA (0.50) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6314560 0.86 LMNA (0.50) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6314687 0.86 LMNA (0.46) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6305853 0.86 LMNA (0.46) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL7071510 0.86 LMNA (0.46) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6307825 0.82 TSHR (0.36) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL6312743 0.82 TSHR (0.36) LMNAGAAALDH1A1KDM4EMAPT

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 10 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
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

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 LMNA 139/4885GAA 873/4885ALDH1A1 3929/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 LMNA 139/4885GAA 873/4885ALDH1A1 3929/4885
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 LMNA 186/4885GAA 2518/4885ALDH1A1 2638/4885

“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.