SCHEMBL6314378

SCHEMBL6314378

Cc1cc(/C(=C\Nc2cccnc2)P(=O)(OC(C)C)OC(C)C)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.44
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38

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 0.92 LMNA (0.45) BRAFNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6314372 0.92 LMNA (0.45) BRAFNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6307228 0.88 LMNA (0.48) BRAFNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6306973 0.85 TSHR (0.44) NPC1ALDH1A1TSHRNAMPTGAA
SCHEMBL6314520 0.78 LMNA (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6309137 0.78 TSHR (0.44) NPC1ALDH1A1MEN1KMT2ATSHR
SCHEMBL6752458 0.78 LMNA (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6306463 0.78 LMNA (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6306465 0.78 LMNA (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5662364 0.74 CYP1A1 (0.41) NPC1ALDH1A1RAB9AKMT2ANAMPT

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 12 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
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 BRAF 4692/4885NPC1 252/4885ALDH1A1 3929/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 BRAF 4692/4885NPC1 252/4885ALDH1A1 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 BRAF 4171/4885NPC1 49/4885ALDH1A1 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.