SCHEMBL420405

SCHEMBL420405

O=C(OC(=O)[C@@H](O)[C@H](O)C(=O)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.54
F2 P00734 1/20 0.54
TSHR P16473 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PRKCA P17252 1/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES2 O00748 2/20 0.42

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
SCHEMBL582331 1.00 ALDH1A1 (0.57) ALDH1A1LMNAF2TSHRTDP1
SCHEMBL1162598 1.00 ALDH1A1 (0.57) ALDH1A1LMNAF2TSHRTDP1
SCHEMBL670258 1.00 ALDH1A1 (0.57) ALDH1A1LMNAF2TSHRTDP1
Water SCHEMBL7306062 0.98 ALDH1A1 (0.55) ALDH1A1LMNAF2TSHRTDP1
SCHEMBL6665458 0.98 ALDH1A1 (0.55) ALDH1A1LMNAF2TSHRTDP1
Hydrochloric Acid SCHEMBL29837305 0.98 ALDH1A1 (0.55) ALDH1A1LMNAF2TSHRTDP1
Water SCHEMBL1660792 0.98 ALDH1A1 (0.55) ALDH1A1LMNAF2TSHRTDP1
Water SCHEMBL365995 0.98 ALDH1A1 (0.55) ALDH1A1LMNAF2TSHRTDP1
Hydroxyamine SCHEMBL28505434 0.96 ALDH1A1 (0.53) ALDH1A1LMNAF2TSHRTDP1
SCHEMBL6658466 0.96 ALDH1A1 (0.53) ALDH1A1LMNAF2TSHRTDP1

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 219 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710437-B1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER OF LOW OPTICAL PURITY SIEGFRIED AG (CH) 2022-12-14 EP claimed
US-11407730-B2 Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the presence of an alcoholate base and subsequent process steps SIEGFRIED AG (CH) 2022-08-09 US claimed
CN-114763339-A Process for the preparation of triazine derivatives 江苏恒瑞医药股份有限公司 2022-07-19 CN claimed
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer SIEGFRIED AG (CH) 2022-03-22 US claimed
EP-3728215-B1 ONE-POT PROCESS FOR THE PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF SODIUM ETHANOLATE OR POTASSIUM ETHANOLATE OR MIXTURES THEREOF SIEGFRIED AG (CH) 2021-10-13 EP claimed
US-11091458-B2 2021-08-17 US claimed
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2020-10-22 US claimed
US-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER SIEGFRIED AG (CH) 2020-10-22 US claimed
US-20150126743-A1 Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine HOFFMANN-LA ROCHE INC. 2015-05-07 US claimed
US-20130338366-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE HOFFMANN LA ROCHE (US) 2013-12-19 US claimed
WO-2008031749-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed
US-7161008-B2 Optically active β-aminoketones, optically active 1,3-amino alcohols and processes for preparing them Sanofi - Aventis Deutschland GmbH (DE) 2007-01-09 US claimed
CN-1211366-C Methyl sulfonate trihydrate of 1-(4-hydroxy phenyl)-2-(4-hydroxy-4-phenyl piperid-1-yl)-1-propanol and its intermidiate preparing process PFIZER PROD INC (US) 2005-07-20 CN claimed
EP-1149831-B1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER PROD INC (US) 2004-09-01 EP claimed
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US claimed
US-6570018-B2 Reducing the propanone of the compound with an alkali metal borohydride and cleaving the protecting group in the presence of methanesulfonic acid; n-methyl-d-aspartic acid receptor antagonist; longer shelf life PFIZER INC 2003-05-27 US claimed
US-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER INC. 2002-02-07 US claimed
CN-1322716-A Methyl sulfonate trihydrate of 1-(4-hydroxy phenyl)-2-(4-hydroxy-4-phenyl piperid-1-yl)-1-propanol and its intermidiate preparing process PFIZER PROD INC (US) 2001-11-21 CN claimed
EP-1149831-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor Pfizer Products Inc. (US) 2001-10-31 EP claimed
EP-0029175-B1 PROCESS FOR THE OBTENTION OF THE ENANTIOMERIC FORMS OF 4-CYANE-1-(N-METHYL-N-(2'-((3\",4\"-DIMETHOXYPHENYL))ETHYL-AMINO)-5-METHYL-4-(3',4',5'-TRIMETHOXYPHENYL) HEXANE AND ITS SALTS BASF Aktiengesellschaft (DE) 1982-12-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER CHRNB1, CHRNA1, CHRM1 ALDH1A1 129/4885LMNA 4014/4885F2 3196/4885
US-20040030145-A1 Optically active B-aminoketones, optically active 1,3-amino alcohols and processes for preparing them ORMDL3, OR10J3, BCAT2 ALDH1A1 59/4885LMNA 2390/4885F2 805/4885
US-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor CYP4A11, CYP2S1, CYP4B1 ALDH1A1 14/4885LMNA 4184/4885F2 1986/4885
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer CHRNB1, CHRNA1, CHRM1 ALDH1A1 129/4885LMNA 3991/4885F2 3214/4885
US-20130338366-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE PNPO, ENO1, CHRM1 ALDH1A1 1362/4885LMNA 1512/4885F2 352/4885
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS NNMT, NAPRT, NAMPT ALDH1A1 584/4885LMNA 2920/4885F2 2837/4885
US-11091458-B2 NNMT, CHRNA5, NAPRT ALDH1A1 550/4885LMNA 2721/4885F2 2875/4885
US-20150126743-A1 Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine PNPO, ENO1, CHRM1 ALDH1A1 1362/4885LMNA 1512/4885F2 352/4885
US-11407730-B2 Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the presence of an alcoholate base and subsequent process steps NNMT, NAPRT, NAMPT ALDH1A1 584/4885LMNA 2920/4885F2 2837/4885

“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.