SCHEMBL352389

SCHEMBL352389

O=C(OC(C(=O)O)c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
MAPK1 P28482 1/20 0.57
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CYP2D6 P10635 2/20 0.43
SRC P12931 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7262029 1.00 LMNA (0.57) LMNAMAPK1CES2CES1CYP2D6
Methenamine SCHEMBL2233803 0.90 LMNA (0.47) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL28579226 0.82 LMNA (0.59) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL8475294 0.81 KLK7 (0.48) ALDH1A1KMT2AKLK7
SCHEMBL23059830 0.81 ALDH1A1 (0.47) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL11508509 0.81 CYP2D6 (0.43) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL5898746 0.80 LMNA (0.56) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL5898749 0.80 LMNA (0.56) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL12134271 0.79 SRC (0.50) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL3711578 0.79 GABBR2 (0.42) LMNAMAPK1CYP2D6SRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133436-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2011-10-27 WO claimed
US-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-03 US claimed
US-20150054202-A1 METHOD TO MINIMIZE MOLECULAR WEIGHT DROP OF POLY(L-LACTIDE) STENT DURING PROCESSING ABBOTT CARDIOVASCULAR SYSTEMS (US) 2015-02-26 US disclosed
US-20120093737-A1 LIGHT-ABSORBING COMPOSITIONS AND METHODS OF USE ALLELE BIOTECHNOLOGY AND PHARMACEUTICALS, INC. 2012-04-19 US disclosed
US-8152931-B2 Dishwasher detergent with excellent rinsing power BASF SE (DE) 2012-04-10 US disclosed
US-8148294-B2 Metal-polymer composites comprising nanostructures and applications thereof LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-04-03 US disclosed
US-20120076842-A1 COSMETIC USE OF TYR-ARG DIPEPTIDE TO COMBAT CUTANEOUS SAGGING SEDERMA (FR) 2012-03-29 US disclosed
US-8123867-B2 Phosphate-free dishwasher detergent with excellent rinsing power BASF SE (DE) 2012-02-28 US disclosed
EP-2419076-A2 COSMETIC COMPOSITIONS COMPRISING ORIDONIN AND NEW COSMETIC USES Sederma (FR) 2012-02-22 EP disclosed
US-20120028916-A1 COSMETIC COMPOSITIONS COMPRISING ORIDONIN AND NEW COSMETIC USES SEDERMA (FR) 2012-02-02 US disclosed
US-20120014887-A1 NEW COMPOUNDS, IN PARTICULAR PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMO-PHARMACEUTICAL USES SEDERMA (FR) 2012-01-19 US disclosed
US-20110083957-A1 Continuous Method For Producing Amides Of Aliphatic Hydroxycarboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-14 US disclosed
US-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY, INC. 2011-03-17 US disclosed
EP-2046283-B1 COMPOSITION COMPRISING SARSASAPOGENIN SEDERMA SA (FR) 2011-03-16 EP disclosed
US-20110045036-A1 Cosmetic Compositions Comprising at Least One Peptide with at Least One Immobilized Aromatic Cycle SEDERMA (FR) 2011-02-24 US disclosed
US-20110033507-A1 Polypeptides KXK and Their Use SEDERMA (FR) 2011-02-10 US disclosed
US-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-03 US disclosed
US-20110002865-A1 MOISTURIZING COSMETIC COMPOSITION COMPRISING A COMBINATION OF HOMARINE AND ERYTHRITOL SEDERMA, S.A.S. (FR) 2011-01-06 US disclosed
US-6653498-B2 Reacting an aldehyde with hydrogen cyanide in a water immiscible organic solvent and water, using the enzyme (R)-hydroxynitrile lyase CLARIANT GMBH (DE) 2003-11-25 US disclosed
US-20020052523-A1 Process for preparing optically active cyanohydrins and secondary products CLARIANT GMBH 2002-05-02 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 (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-20020052523-A1 Process for preparing optically active cyanohydrins and secondary products DOHH, OGDH, AOX1 LMNA 542/4885MAPK1 2827/4885CES2 290/4885
US-20120014887-A1 NEW COMPOUNDS, IN PARTICULAR PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMO-PHARMACEUTICAL USES CUTA, PLOD3, MC1R LMNA 1856/4885MAPK1 1934/4885CES2 4406/4885
US-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING TNNI3K, TNK1, NIT2 LMNA 3059/4885MAPK1 1065/4885CES2 3669/4885
US-20110033507-A1 Polypeptides KXK and Their Use NPR3, NGLY1, NPR1 LMNA 828/4885MAPK1 3481/4885CES2 4322/4885
US-20120076842-A1 COSMETIC USE OF TYR-ARG DIPEPTIDE TO COMBAT CUTANEOUS SAGGING ARGLU1, CUTA, ARG1 LMNA 3387/4885MAPK1 2953/4885CES2 2466/4885
US-20110045036-A1 Cosmetic Compositions Comprising at Least One Peptide with at Least One Immobilized Aromatic Cycle TYR, XPA, MC1R LMNA 268/4885MAPK1 2667/4885CES2 2836/4885
US-20110002865-A1 MOISTURIZING COSMETIC COMPOSITION COMPRISING A COMBINATION OF HOMARINE AND ERYTHRITOL AQP1, CUTA, AQP3 LMNA 2297/4885MAPK1 3877/4885CES2 2359/4885
US-20120028916-A1 COSMETIC COMPOSITIONS COMPRISING ORIDONIN AND NEW COSMETIC USES DPM1, MC1R, SLTM LMNA 1393/4885MAPK1 3655/4885CES2 2268/4885
US-20110027336-A1 COATINGS FOR IMPLANTABLE DEVICES COMPRISING POLYMERS OF LACTIC ACID AND METHODS FOR FABRICATING THE SAME LDHA, LDHB, CA1 LMNA 2203/4885MAPK1 1734/4885CES2 1379/4885

“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.