SCHEMBL290364

SCHEMBL290364

CCOC(=O)C(C(=O)OCC)c1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
CTSA P10619 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29824513 1.00 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL29841550 0.95 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL14254979 0.95 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL3655237 0.92 MMP8 (0.54) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL27758476 0.91 MMP8 (0.49) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL4162223 0.90 MMP8 (0.48) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL22242513 0.88 MMP8 (0.47) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL3655233 0.86 KMT2A (0.47) MMP8CTSAALDH1A1MAPTGAA
SCHEMBL11189555 0.85 ALDH1A1 (0.46) MMP8CTSAALDH1A1MAPTHPGD
SCHEMBL13523030 0.85 MMP8 (0.45) MMP8CTSAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4093738-B1 MESOIONIC INSECTICIDES FMC CORP (US) 2024-03-06 EP disclosed
US-20230101273-A1 MESOIONIC INSECTICIDES FMC CORPORATION 2023-03-30 US disclosed
EP-4093738-A1 MESOIONIC INSECTICIDES FMC CORPORATION (US) 2022-11-30 EP disclosed
CN-115103843-A Mesoionic insecticides FMC公司 2022-09-23 CN disclosed
US-11267779-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PROMETIC PHARMA SMT LIMITED (GB) 2022-03-08 US disclosed
WO-2021151034-A1 MESOIONIC INSECTICIDES FMC CORPORATION (US) 2021-07-29 WO disclosed
CN-107106526-B Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration 普罗米蒂克医药SMT有限公司 2021-05-28 CN disclosed
US-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION LIMINAL BIOSCIENCES LTD (GB) 2021-03-25 US disclosed
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES, INC. (CA) 2021-01-07 US disclosed
US-10869849-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration Liminal Biosciences Limited (GB) 2020-12-22 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-26 US disclosed
US-7126001-B2 Class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-24 US disclosed
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
EP-1231919-A4 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN KETTERING INSTITUTEFOR C (US) 2005-02-23 EP disclosed
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-01 US disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
US-6511990-B1 Selectively inducing terminal differentiation of neoplastic cells and thereby inhibiting proliferation SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-01-28 US disclosed
EP-1231919-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 2002-08-21 EP disclosed
WO-2001018171-A2 NOVEL CLASS OF CYTODIFFERENTIATING AGENTS AND HISTONE DEACETYLASE INHIBITORS, AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2001-03-15 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 (8 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-20210085626-A1 SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TISSUE SELF-REPAIR AND REGENERATION COL1A1, CCNH, COL2A1 MMP8 286/4885CTSA 254/4885ALDH1A1 129/4885
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 MMP8 1639/4885CTSA 144/4885ALDH1A1 367/4885
US-20210002202-A1 Substituted Aromatic Compounds and Pharmaceutical Uses Thereof TYR, PAH, REN MMP8 1012/4885CTSA 788/4885ALDH1A1 190/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 MMP8 1639/4885CTSA 144/4885ALDH1A1 367/4885
US-10869849-B2 Substituted aromatic compounds and pharmaceutical compositions for tissue self-repair and regeneration COL1A1, CCNH, COL2A1 MMP8 286/4885CTSA 254/4885ALDH1A1 129/4885
US-20230101273-A1 MESOIONIC INSECTICIDES CHRM1, DDT, CHRM2 MMP8 4079/4885CTSA 2786/4885ALDH1A1 1013/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 MMP8 1401/4885CTSA 91/4885ALDH1A1 398/4885
US-11267779-B2 Substituted aromatic compounds for the treatment of pulmonary fibrosis, liver fibrosis, skin fibrosis and cardiac fibrosis PAH, HRH3, CFH MMP8 1261/4885CTSA 1824/4885ALDH1A1 402/4885

“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.