SCHEMBL10243854

SCHEMBL10243854

CC(C)(C)CC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDC25B P30305 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL23142607 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL2847154 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL4178623 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6449232 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7269037 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL22882669 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL19788039 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL23142610 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL20054184 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28371763 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207353-A1 USE OF PEPTIDE AMIDE COMPOUND IN PREPARATION OF DRUG FOR TREATING PRURITUS XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-9034851-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-05-19 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 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 (14 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A ALDH1A1 77/4885MAPK1 2789/4885L3MBTL1 4361/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 ALDH1A1 3170/4885MAPK1 1710/4885L3MBTL1 4754/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885MAPK1 1612/4885L3MBTL1 1291/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPK1 2197/4885L3MBTL1 743/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 ALDH1A1 3118/4885MAPK1 1619/4885L3MBTL1 4794/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 ALDH1A1 2141/4885MAPK1 1482/4885L3MBTL1 3242/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 ALDH1A1 2153/4885MAPK1 2956/4885L3MBTL1 4242/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 ALDH1A1 8/4885MAPK1 2140/4885L3MBTL1 831/4885
US-20240207353-A1 USE OF PEPTIDE AMIDE COMPOUND IN PREPARATION OF DRUG FOR TREATING PRURITUS VIP, GRPR, ITCH ALDH1A1 3043/4885MAPK1 841/4885L3MBTL1 4116/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885MAPK1 2104/4885L3MBTL1 2853/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885MAPK1 1482/4885L3MBTL1 3242/4885

“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.