SCHEMBL6314533

SCHEMBL6314533

CCOP(=O)(OCC)/C(=C/Nc1nccs1)c1cc(C)c(O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
BRD4 O60885 1/20 0.42
RAB9A P51151 5/20 0.41
MAPK1 P28482 4/20 0.41
LMNA P02545 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 4/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PKM P14618 2/20 0.36
HTT P42858 1/20 0.35
KCNMA1 Q12791 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL6306416 0.84 GLA (0.37) MAPTBRD4RAB9AMAPK1LMNA
SCHEMBL6314583 0.84 GLA (0.37) MAPTBRD4RAB9AMAPK1LMNA
SCHEMBL6305958 0.81 TSHR (0.41) SMN1; SMN2MAPTLMNAHPGDGAA
SCHEMBL6307314 0.81 TSHR (0.41) SMN1; SMN2MAPTLMNAHPGDGAA
SCHEMBL6308373 0.79 EGFR (0.36) MAPTRAB9ALMNAGAAALDH1A1
SCHEMBL6314520 0.78 LMNA (0.43) SMN1; SMN2MAPTRAB9ALMNAGAA
SCHEMBL6752458 0.78 LMNA (0.43) SMN1; SMN2MAPTRAB9ALMNAGAA
SCHEMBL7136022 0.78 EGFR (0.34) SMN1; SMN2MAPTRAB9AHPGDGAA
SCHEMBL6309125 0.77 GLA (0.39) SMN1; SMN2MAPTRAB9AMAPK1LMNA
SCHEMBL6309422 0.77 GLA (0.39) SMN1; SMN2MAPTRAB9AMAPK1LMNA

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 6 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
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 SMN1; SMN2 4063/4885MAPT 3923/4885BRD4 3749/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 SMN1; SMN2 4063/4885MAPT 3923/4885BRD4 3749/4885
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 SMN1; SMN2 4593/4885MAPT 4440/4885BRD4 3796/4885

“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.