SCHEMBL1639255

SCHEMBL1639255

CCOC(=O)C(C)OC(=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.42
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1639253 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1MAPT
SCHEMBL1655798 0.83 TSHR (0.48) ALDH1A1LMNAHSD17B10GLO1MAPT
SCHEMBL725208 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1MAPT
SCHEMBL6906507 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1MAPT
SCHEMBL2434549 0.80 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDL3MBTL1
SCHEMBL6943196 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MAPTALOX15
SCHEMBL28391087 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MAPTALOX15
SCHEMBL15744779 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1MAPT
SCHEMBL2174954 0.77 SMN1; SMN2 (0.39) ALDH1A1TSHRKMT2A
SCHEMBL12150070 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246402-B2 Fruity odorant FIRMENICH SA (CH) 2019-04-02 US claimed
US-20190077743-A1 FRUITY ODORANT FIRMENICH SA (CH) 2019-03-14 US claimed
US-20180208540-A1 FRUITY ODORANT FIRMENICH SA (CH) 2018-07-26 US claimed
US-20110097291-A1 FRUITY ODORANT FIRMENICH SA (CH) 2011-04-28 US claimed
EP-1494659-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS INC (US) 2005-10-12 EP claimed
EP-1494659-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT Critical Therapeutics, Inc. (US) 2005-01-12 EP claimed
US-20030232884-A1 New pharmaceutical formulation CRITICAL THERAPEUTICS, INC. 2003-12-18 US claimed
WO-2003088955-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMINE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-10766850-B2 Fruity odorant FIRMENICH SA (CH) 2020-09-08 US disclosed
US-10246402-B2 Fruity odorant FIRMENICH SA (CH) 2019-04-02 US disclosed
US-20190077743-A1 FRUITY ODORANT FIRMENICH SA (CH) 2019-03-14 US disclosed
US-20180208540-A1 FRUITY ODORANT FIRMENICH SA (CH) 2018-07-26 US disclosed
US-9957221-B2 Fruity odorant FIRMENICH SA (CH) 2018-05-01 US disclosed
CN-102740706-A Compositions comprising pyruvate for companion animals and methods of use thereof HILLS PET NUTRITION INC 2012-10-17 CN disclosed
US-20060057070-A1 Albumin-based colloid composition having at least one protected thiol region, methods of making, and methods of use MEDICAL UNIVERSITY OF OHIO AT TOLEDO 2006-03-16 US disclosed
EP-1494659-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS INC (US) 2005-10-12 EP disclosed
US-20050187139-A1 Albumin-based colloid composition having at least one protected thiol region, methods of making, and methods of use MEDICAL COLLEGE OF OHIO 2005-08-25 US disclosed
EP-1494659-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT Critical Therapeutics, Inc. (US) 2005-01-12 EP disclosed
US-20030232884-A1 New pharmaceutical formulation CRITICAL THERAPEUTICS, INC. 2003-12-18 US disclosed
WO-2003088955-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMINE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 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 (6 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-20190077743-A1 FRUITY ODORANT C5, TAS1R3, TAS1R1 ALDH1A1 142/4885LMNA 4290/4885HSD17B10 1749/4885
US-20030232884-A1 New pharmaceutical formulation LIPA, CEL, LDHA ALDH1A1 227/4885LMNA 1853/4885HSD17B10 311/4885
US-20180208540-A1 FRUITY ODORANT C5, TAS1R3, TAS2R1 ALDH1A1 266/4885LMNA 4119/4885HSD17B10 1886/4885
US-20110097291-A1 FRUITY ODORANT C5, TAS1R3, TAS2R1 ALDH1A1 171/4885LMNA 4128/4885HSD17B10 1824/4885
US-10766850-B2 Fruity odorant C5, TAS1R3, TAS1R1 ALDH1A1 142/4885LMNA 4290/4885HSD17B10 1749/4885
US-10246402-B2 Fruity odorant C5, TAS1R3, TAS2R1 ALDH1A1 266/4885LMNA 4119/4885HSD17B10 1886/4885

“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.