SCHEMBL423445

SCHEMBL423445

O=CCC[C@H](O)[C@@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.32
MPI P34949 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL423446 1.00 AKR1B1 (0.38) AKR1B1LMNAL3MBTL1TDP1HIF1A
SCHEMBL504375 1.00 AKR1B1 (0.38) AKR1B1LMNAL3MBTL1TDP1HIF1A
SCHEMBL8653995 1.00 AKR1B1 (0.38) AKR1B1LMNAL3MBTL1TDP1HIF1A
SCHEMBL8948482 1.00 AKR1B1 (0.38) AKR1B1LMNAL3MBTL1TDP1HIF1A
Hydrochloric Acid SCHEMBL15779291 0.97 AKR1B1 (0.36) AKR1B1LMNAL3MBTL1TDP1HIF1A
Phosphoric Acid SCHEMBL5789491 0.91 MPI (0.39) AKR1B1LMNAL3MBTL1MPI
SCHEMBL5699947 0.85 AKR1B1 (0.43) AKR1B1
SCHEMBL17984936 0.85 HIF1A (0.41) AKR1B1LMNAL3MBTL1TDP1HIF1A
SCHEMBL17984952 0.85 LMNA (0.46) AKR1B1LMNAL3MBTL1TDP1PDE4A
SCHEMBL17984927 0.84 THRB (0.33) AKR1B1HIF1AMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739333-B1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS DU PONT (US) 1998-10-14 EP claimed
EP-0739333-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-30 EP claimed
US-5510507-A COORDINATION CATALYSTS; EFFICIENT ENANTIOSELECTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US claimed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US claimed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 WO claimed
US-8722864-B2 Glycosylated acetaminophen pro-drug analogs NuTek Pharma Ltd. (US) 2014-05-13 US disclosed
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG NuTek Pharma Ltd. 2013-08-22 US disclosed
US-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs NuTek Pharma Ltd. 2012-01-26 US disclosed
WO-2012012339-A2 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-01-26 WO disclosed
US-6380168-B1 ADMINISTERING 3-O-.BETA.-GLUCOPYRANOSYL(1-6)-.BETA.-D-GLUCOPYRANOSYL INDOLE, 2-S-.BETA.-D-GLUCOPYRANOSYL-3-O-.BETA.-D-GLUCOPYRANOSYL-2-MERC APTOINDOLE FOR INCREASING BLOOD FLOW TO SKIN NOMURA CO., LTD. (JP) 2002-04-30 US disclosed
US-6297363-B1 3-O-BETA-D-GLUCOPYRANOSYL(1-6)-BETA-D-GLUCOPYRANOSYL INDOLE; ISOLATED FROM CALANTHE DISCOLOR LINDL; FOR PROMOTION OF HAIR GROWTH AND RESTORATION NOMURA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0739333-B1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS DU PONT (US) 1998-10-14 EP disclosed
US-5510470-A CONTAINS A DIDEOXYSACCHARIDE; USED WITH ZERO VALENT NICKEL AS A CATALYST FOR ENANTIOSELECTIVE HYDROCYANATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
US-5484902-A HYDROCYANATION OF VINYL AROMATICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-16 US disclosed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 US disclosed
US-5475146-A Reacting vinyl compound with carbon monoxide and hydrogen in presence of catalyst containing cobalt, rhodium, platinum and/or iridium and chiral carbohydrate phosphorus ligand substituted with electron withdrawing groups E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-12 US disclosed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 WO disclosed
WO-1995006627-A1 ENANTIOSELECTIVE HYDROFORMYLATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-09 WO disclosed
US-5312957-A 2-/6-Methoxy-2-naphthalene/propionitrile E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
US-5175335-A Reacting vinyl aryl compounds with a source of hydrocyanic acid in presence of nickle zero valent compound and nonracemic bidentate organophosphorus ligand E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-29 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 (2 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-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs UGT1A3, GCG, UGT1A1 AKR1B1 439/4885LMNA 1396/4885L3MBTL1 3901/4885
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG UGT1A3, GCG, UGGT1 AKR1B1 451/4885LMNA 1464/4885L3MBTL1 4031/4885

“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.