SCHEMBL6307208

SCHEMBL6307208

CCOP(=O)(OCC)C(CNc1cnccn1)c1cc(C)c(O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
NOTUM Q6P988 1/20 0.34
CHEK1 O14757 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL6306438 0.94 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL6306511 0.92 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1TSHRNOTUM
SCHEMBL6306472 0.87 L3MBTL1 (0.38) KDM4EALDH1A1L3MBTL1TSHRNOTUM
SCHEMBL6307249 0.86 HMGCR (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRNOTUM
SCHEMBL6309420 0.84 L3MBTL1 (0.40) KDM4ESMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL6307857 0.84 ALPL (0.40) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL6305868 0.83 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1KMT2AMEN1CCNT1
SCHEMBL6307242 0.83 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL5662451 0.83 L3MBTL1 (0.40) L3MBTL1TSHRKMT2ACCNT1CDK9
SCHEMBL6309242 0.82 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1L3MBTL1TSHR

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
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
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 KDM4E 1456/4885SMN1; SMN2 4063/4885ALDH1A1 3929/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 KDM4E 1456/4885SMN1; SMN2 4063/4885ALDH1A1 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 KDM4E 1687/4885SMN1; SMN2 4593/4885ALDH1A1 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.