SCHEMBL4191209

SCHEMBL4191209

O=C(O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.46
CTSK P43235 3/20 0.44
KIF11 P52732 1/20 0.42
MMP12 P39900 3/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
DUT P33316 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
CPA1 P15085 2/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4926228 1.00 TK1 (0.46) TK1CTSKKIF11MMP12MMP13
SCHEMBL4925573 1.00 TK1 (0.46) TK1CTSKKIF11MMP12MMP13
SCHEMBL9178224 0.92 TK1 (0.43) TK1CTSKKIF11MMP12MMP13
SCHEMBL10433900 0.92 TK1 (0.43) TK1CTSKKIF11MMP12MMP13
SCHEMBL10463726 0.87 TK1 (0.43) TK1CTSKKIF11MMP12DUT
SCHEMBL9173106 0.87 TK1 (0.43) TK1CTSKKIF11MMP12DUT
SCHEMBL3954890 0.87 TK1 (0.44) TK1CTSKKIF11DUTCYP2C19
SCHEMBL2131414 0.87 TK1 (0.44) TK1CTSKKIF11DUTCYP2C19
SCHEMBL2111572 0.85 KIF11 (0.50) TK1CTSKKIF11DUTCYP2C19
SCHEMBL5354077 0.84 TK1 (0.45) TK1CTSKKIF11LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
EP-1578723-A4 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF UNIV MICHIGAN STATE (US) 2006-11-02 EP disclosed
EP-1578723-A3 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-10-20 EP disclosed
EP-1578723-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-09-28 EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 US disclosed
WO-2003106413-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-24 WO disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 EP disclosed
EP-0367895-A1 Pyrimidinyl-substituted hydroxyacids, lactones and esters and pharmaceutical compositions containing them SANDOZ AG (CH) 1990-05-16 EP disclosed
WO-1990003973-A1 PYRIMIDINYL-SUBSTITUTED HYDROXYACIDS, LACTONES AND ESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1990-04-19 WO disclosed
US-4870199-A FROM 3-HYDROXY-4-TRIPHENYLMETHOXYBUTANOIC ACID SANDOZ PHARM. CORP. (US) 1989-09-26 US disclosed
EP-0327500-A2 5-Substituted 1H-pyrazolo[3,4-b]pyridine derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1989-08-09 EP disclosed
US-4822799-A Pyrazolopyridine analogs of mevalonolactone and derivatives thereof useful for inhibiting cholesterol biosynthesis in mammals SANDOZ PHARM. CORP. (US) 1989-04-18 US disclosed
US-4808607-A ATHEROSCLEROSIS, HYPERLIPOPROTEINEMIA SANDOZ PHARM. CORP. (US) 1989-02-28 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 TK1 2805/4885CTSK 1432/4885KIF11 3787/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 TK1 2642/4885CTSK 4299/4885KIF11 2957/4885
US-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 TK1 4411/4885CTSK 4421/4885KIF11 1774/4885

“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.