SCHEMBL1135908

SCHEMBL1135908

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.60
LMNA P02545 3/20 0.50
GABRR1 P24046 2/20 0.50
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GPR84 Q9NQS5 4/20 0.40
ALDH1A1 P00352 1/20 0.40
OR51E2 Q9H255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL4671010 1.00 SLC22A6 (0.60) SLC22A6LMNAGABRR1MAPTSMN1; SMN2
SCHEMBL6557026 1.00 SLC22A6 (0.60) SLC22A6LMNAGABRR1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6555061 0.97 SLC22A6 (0.57) SLC22A6LMNAGABRR1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6555178 0.97 SLC22A6 (0.57) SLC22A6LMNAGABRR1MAPTSMN1; SMN2
SCHEMBL6453593 0.89 SLC22A6 (0.75) SLC22A6LMNAGABRR1MAPTSMN1; SMN2
SCHEMBL3447372 0.86
SCHEMBL415844 0.86
SCHEMBL415845 0.86
SCHEMBL7465733 0.83
SCHEMBL7465718 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US claimed
EP-1625223-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES Diversa Corporation (US) 2006-02-15 EP claimed
US-20050153407-A1 Chemoenzymatic methods for the synthesis of statins and stain intermediates VERENIUM CORPORATION 2005-07-14 US claimed
WO-2004027075-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STAIN INTERMEDIATES DIVERSA CORPORATION (US) 2004-04-01 WO claimed
EP-1184380-B1 Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof TAKASAGO PERFUMERY CO LTD (JP) 2004-02-25 EP claimed
US-20020052515-A1 Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof TAKASAGO INTERNATIONAL CORPORATION 2002-05-02 US claimed
US-6365755-B1 REACTING 3,5,6-TRIHYDROXYHEXANOIC ACID WITH AN AMINE THEN PURIFYING THE RESULTING AMMONIUM COMPOUND BY CRYSTALLIZATION; CHEMICAL INTERMEDIATES FOR HMG-COA REDUCTASE INHIBITOR; STABILITY; PREFERENTIAL STEREOCONFIGURATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US claimed
EP-1184380-A1 Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof Takasago International Corporation (JP) 2002-03-06 EP claimed
EP-0583171-B1 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production TAKASAGO PERFUMERY CO LTD (JP) 1998-11-11 EP claimed
EP-0583171-A2 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production Takasago International Corporation (JP) 1994-02-16 EP claimed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 US claimed
US-9228214-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2016-01-05 US disclosed
US-20150152451-A1 PROCESS FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXY KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2015-06-04 US disclosed
US-8980592-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2015-03-17 US 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
EP-0583171-A2 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production Takasago International Corporation (JP) 1994-02-16 EP disclosed
EP-0583171-A2 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production Takasago International Corporation (JP) 1994-02-16 EP disclosed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 US disclosed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 US disclosed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 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-20020052515-A1 Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof ABHD5, ALKBH3, APEH SLC22A6 2714/4885LMNA 4459/4885GABRR1 1371/4885

“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.