SCHEMBL4429025

SCHEMBL4429025

CC(O)([C]=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6017366 0.80 ALDH1A1 (0.46) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL27514567 0.77 MAPT (0.42) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL26105458 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL200565 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL27390196 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL28606840 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL10736177 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL1615186 0.76 CYP2C19 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL127044 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1
SCHEMBL3995663 0.76 ALDH1A1 (0.43) MAPTKMT2ACYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-11 US claimed
WO-2022107049-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-27 WO claimed
EP-1511500-A4 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-29 EP claimed
JP-2006504666-A 2006-02-09 JP claimed
CN-1674918-A Compositions, formulations and kits for treating respiratory and pulmonary diseases using dehydroepiandrosterone steroids and antimuscarinic drugs EPIGENESIS PHARMACEUTICALS INC (US) 2005-09-28 CN claimed
EP-1511500-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS Epigenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP claimed
WO-2004014293-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS, INC. (US) 2004-02-19 WO claimed
US-20030216329-A1 Composition, formulations & kit for treatment of respiratory & lung disease with dehydroepiandrosterone(s) steroid & an anti-muscarinic agent(s) EPEGENESIS PHARMACEUTICALS, INC. 2003-11-20 US claimed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 US claimed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 EP claimed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 US claimed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 US claimed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 US claimed
EP-0594656-A1 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES SANDOZ LTD. (CH) 1994-05-04 EP claimed
WO-1993001166-A1 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES SANDOZ LTD. (CH) 1993-01-21 WO claimed
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-01-11 US disclosed
WO-2022107049-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-27 WO disclosed
EP-0594656-A1 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES SANDOZ LTD. (CH) 1994-05-04 EP disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
WO-1993001166-A1 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES SANDOZ LTD. (CH) 1993-01-21 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-20030216329-A1 Composition, formulations & kit for treatment of respiratory & lung disease with dehydroepiandrosterone(s) steroid & an anti-muscarinic agent(s) KIT, NR5A1, CHRM5 MAPT 2996/4885KMT2A 1355/4885CYP2C19 944/4885
US-20240010679-A1 ANTINOCICEPTIVE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRD1 MAPT 1174/4885KMT2A 2212/4885CYP2C19 3098/4885

“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.