SCHEMBL570059

SCHEMBL570059

CC(=O)NOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ PYGB P11216 2/20 0.47
▸ SLC28A3 Q9HAS3 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ LGALS8 O00214 1/20 0.44

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
SCHEMBL9943621 1.00 ALDH1A1 (0.48) ALDH1A1THRBPYGBSLC28A3L3MBTL1
SCHEMBL570049 1.00 ALDH1A1 (0.48) ALDH1A1THRBPYGBSLC28A3L3MBTL1
SCHEMBL9943619 1.00 ALDH1A1 (0.48) ALDH1A1THRBPYGBSLC28A3L3MBTL1
SCHEMBL27575279 0.87 ALDH1A1 (0.46) ALDH1A1THRBPYGBSLC28A3MAPK1
Ammonia Solution, Strong SCHEMBL27607787 0.86 ALDH1A1 (0.45) ALDH1A1THRBPYGBSLC28A3MAPK1
SCHEMBL28566617 0.84 L3MBTL1 (0.46) ALDH1A1THRBPYGBSLC28A3L3MBTL1
Acetic Acid SCHEMBL28301841 0.84 ALDH1A1 (0.44) ALDH1A1THRBPYGBSLC28A3MAPK1
SCHEMBL26953405 0.84 PYGB (0.45) ALDH1A1THRBPYGBSLC28A3L3MBTL1
SCHEMBL4257855 0.83 STAT3 (0.46) ALDH1A1THRBMAPK1MAPTHDAC3
Nitrobenzene SCHEMBL28451647 0.82 SLC28A3 (0.45) ALDH1A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8277304-A — — None — — JP disclosed
US-20150167049-A1 DETECTION AND DISTINCTION OF TRICHOMONAS AND CANDIDA WANG ZEYU (CN) 2015-06-18 — — US disclosed
EP-2407549-B1 DETECTION OF TRICHOMONAS AND CANDIDA AUTOBIO DIAGNOSTICS CO LTD (CN) 2013-10-09 — — EP disclosed
US-20120034637-A1 DETECTION OF TRICHOMONAS AND CANDIDA Autobio Diagnostics Co., Ltd. (CN) 2012-02-09 — — US disclosed
EP-2407549-A1 DETECTION OF TRICHOMONAS AND CANDIDA Autobio Diagnostics Co., Ltd. (CN) 2012-01-18 — — EP disclosed
US-20110086767-A1 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES INSTITUT PASTEUR 2011-04-14 — — US disclosed
EP-2100965-A1 Mutants of glycoside hydrolases and uses thereof for synthesizing complex oligosaccharides and disaccharide intermediates Institut Pasteur (FR) 2009-09-16 — — EP disclosed
US-20030170828-A1 Synthesis of complex carbohydrates NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2003-09-11 — — US disclosed
EP-1311550-A2 SYNTHESIS OF COMPLEX CARBOHYDRATES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2003-05-21 — — EP disclosed
WO-2002016438-A2 SYNTHESIS OF COMPLEX CARBOHYDRATES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-02-28 — — WO disclosed
US-5780443-A Water-soluble retinoids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-07-14 — — US disclosed
US-5741783-A TREATING CHITOSAN WITH FORMALDEHYDE AND HYDROGEN CYANIDE YIELDS MIXTURES FOR USE IN FILMS AND MEMBRANES, WATER TREATMENT, COMPLEXING AGENTS, STABILIZERS AND COSMETICS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-21 — — US disclosed
US-5674852-A Water-soluble retinoids CIBA-GEIGY CORPORATION (US) 1997-10-07 — — US disclosed
JP-H08277304-A N-CYANOMETHYLATED CHITOSAN AND HYDROLYSATE THEREOF CIBA GEIGY AG 1996-10-22 — — JP disclosed
EP-0722451-A1 WATER-SOLUBLE RETINOIDS Ciba SC Holding AG (CH) 1996-07-24 — — EP disclosed
EP-0718313-A2 N-cyanomethylated chitosan and hydrolysis products thereof CIBA-GEIGY AG (CH) 1996-06-26 — — EP disclosed
WO-1995009862-A1 WATER-SOLUBLE RETINOIDS CIBA-GEIGY AG (CH) 1995-04-13 — — WO disclosed
EP-0637310-A1 WATER-SOLUBLE RETINOIDS Ciba SC Holding AG (CH) 1995-02-08 — — EP disclosed
WO-1993021195-A1 WATER-SOLUBLE RETINOIDS CIBA-GEIGY AG (CH) 1993-10-28 — — WO disclosed
US-4716222-A CHROMOGENS, SPECTROPHOTOMETRY HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-29 — — 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 (1 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-20110086767-A1 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES ENGASE, GALE, MGAM ALDH1A1 1157/4885THRB 3203/4885PYGB 822/4885

“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.

Send feedback