SCHEMBL6314548

SCHEMBL6314548

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ERN1 O75460 1/20 0.42
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6314560 1.00 LMNA (0.50) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6306463 0.94 LMNA (0.47) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6306465 0.94 LMNA (0.47) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL7079694 0.87 LMNA (0.45) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6314687 0.86 LMNA (0.46) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6305853 0.86 LMNA (0.46) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL7071510 0.86 LMNA (0.46) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6307228 0.86 LMNA (0.48) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6314520 0.81 LMNA (0.43) LMNAGAAKDM4EMAPTALDH1A1
SCHEMBL6752458 0.81 LMNA (0.43) LMNAGAAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 873/4885KDM4E 1456/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 LMNA 139/4885GAA 873/4885KDM4E 1456/4885
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 2518/4885KDM4E 1687/4885

“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.