SCHEMBL4289622

SCHEMBL4289622

OC1C[C@H](O)C[C@@H](CCl)O1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL14940213 1.00 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL4289629 1.00 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL14134967 1.00 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL10087481 0.79 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL24240747 0.78
SCHEMBL12942702 0.78
SCHEMBL10330335 0.78
SCHEMBL10033827 0.78
SCHEMBL21323889 0.78
SCHEMBL12951886 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209001-A1 2-Deoxy-D-Ribose 5-Phosphate Aldolases (DERAS) And Uses Thereof DSM IP ASSET B.V. (NL) 2009-08-20 US claimed
EP-1751287-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSMIP Assets B.V. (NL) 2007-02-14 EP claimed
WO-2005118794-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSM IP ASSETS B.V. (NL) 2005-12-15 WO claimed
WO-2013068917-A1 PROCESSES FOR THE PRODUCTION OF A LACTONE STATIN INTERMEDIATE BY ENZYMATIC OXIDATION DR. REDDY'S LABORATORIES LIMITED (IN) 2013-05-16 WO disclosed
WO-2013068917-A1 PROCESSES FOR THE PRODUCTION OF A LACTONE STATIN INTERMEDIATE BY ENZYMATIC OXIDATION DR. REDDY'S LABORATORIES LIMITED (IN) 2013-05-16 WO disclosed
WO-2013068917-A1 PROCESSES FOR THE PRODUCTION OF A LACTONE STATIN INTERMEDIATE BY ENZYMATIC OXIDATION DR. REDDY'S LABORATORIES LIMITED (IN) 2013-05-16 WO disclosed
US-8148324-B2 Aldolases, nucleic acids encoding them; improving thermal stability of enzyme; biosynthesis of atorvastatin, rosuvastatin, fluvastatin starting from e.g. acetaldehyde and chloroacetaldehyde, using enzyme 2-deoxyribose-5-phosphate aldolase (DERA) to form pyran intermediate VERENIUM CORPORATION (US) 2012-04-03 US disclosed
US-20090209001-A1 2-Deoxy-D-Ribose 5-Phosphate Aldolases (DERAS) And Uses Thereof DSM IP ASSET B.V. (NL) 2009-08-20 US disclosed
US-20090209001-A1 2-Deoxy-D-Ribose 5-Phosphate Aldolases (DERAS) And Uses Thereof DSM IP ASSET B.V. (NL) 2009-08-20 US disclosed
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US disclosed
EP-1751287-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSMIP Assets B.V. (NL) 2007-02-14 EP disclosed
EP-1751287-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSMIP Assets B.V. (NL) 2007-02-14 EP disclosed
US-20060258733-A1 By reacting 2-(leaving group-methyl)-4-hydroxy-6-oxotetrahydropyran with a cyanide ion in water at a pH of 0-5; nitrile may be reduced to form an aminoethyl group; reacting with an acetal-forming agent to form a 1,3-dioxane derivative; may be further converted to atorvastatin or its calcium salt DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2006-11-16 US disclosed
WO-2005118794-A3 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSM IP ASSETS BV (NL) 2006-02-16 WO disclosed
WO-2005118794-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSM IP ASSETS B.V. (NL) 2005-12-15 WO disclosed
WO-2005118794-A2 IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF DSM IP ASSETS B.V. (NL) 2005-12-15 WO 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-20090209001-A1 2-Deoxy-D-Ribose 5-Phosphate Aldolases (DERAS) And Uses Thereof DERA, ALDOA, RPIA ALDH1A1 262/4885TDP1 480/4885
US-20060258733-A1 By reacting 2-(leaving group-methyl)-4-hydroxy-6-oxotetrahydropyran with a cyanide ion in water at a pH of 0-5; nitrile may be reduced to form an aminoethyl group; reacting with an acetal-forming agent to form a 1,3-dioxane derivative; may be further converted to atorvastatin or its calcium salt HMGCR, CYP11B2, CYP4F2 ALDH1A1 4200/4885TDP1 2154/4885

“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.