SCHEMBL6310141

SCHEMBL6310141

CCOP(=O)(OCC)C(CNc1cccnc1)c1cc(C)c(O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.40
TSHR P16473 1/20 0.39
NOTUM Q6P988 4/20 0.38
MAPK1 P28482 3/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 3/20 0.36
FDPS P14324 1/20 0.36
PKM P14618 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6307857 0.92 ALPL (0.40) ALPLTSHRNOTUMMAPTALDH1A1
SCHEMBL6308462 0.92 ALPL (0.45) ALPLTSHRNOTUMMAPK1MAPT
SCHEMBL6305873 0.88 LMNA (0.41) ALPLTSHRNOTUMMAPTPOLB
SCHEMBL6308615 0.87 RAB9A (0.41) ALPLTSHRNOTUMMAPK1MAPT
SCHEMBL6307570 0.86 MAPT (0.36) MAPTPOLBSMN1; SMN2
SCHEMBL27602670 0.83 TSHR (0.38) ALPLTSHRNOTUMMAPK1MAPT
SCHEMBL6314118 0.82 ALPL (0.42) ALPLTSHRNOTUMMAPTPOLB
SCHEMBL6306511 0.82 KDM4E (0.43) TSHRNOTUMALDH1A1NPC1RAB9A
SCHEMBL5663447 0.81 FDPS (0.44) TSHRNOTUMMAPK1POLBALDH1A1
SCHEMBL6314585 0.80 LMNA (0.41) ALPLTSHRNOTUMMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALPL 634/4885TSHR 4540/4885NOTUM 1114/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 ALPL 634/4885TSHR 4540/4885NOTUM 1114/4885
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 ALPL 1430/4885TSHR 4237/4885NOTUM 1524/4885

“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.