SCHEMBL952559

SCHEMBL952559

CC(Br)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
ATM Q13315 1/20 0.48
TSHR P16473 2/20 0.47
CTSB P07858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
ELANE P08246 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL952558 1.00 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL953323 1.00 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL30148056 1.00 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9248648 0.86 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3206832 0.86 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10850388 0.84 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27722038 0.84 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106041-A Process for synthesizing triphenylphosphine halogenated salt by solvent-free reaction method 江苏宝众宝达药业股份有限公司 2022-03-01 CN claimed
CN-107428092-B Additive manufacturing method using photomodulated free radical polymerization 陶氏环球技术有限责任公司 2021-06-08 CN claimed
EP-3271155-B1 METHOD OF ADDITIVE MANUFACTURING USING PHOTOREGULATED RADICAL POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2020-09-30 EP claimed
US-20180036942-A1 METHOD OF ADDITIVE MANUFACTURING USING PHOTOREGULATED RADICAL POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC 2018-02-08 US claimed
EP-3271155-A1 METHOD OF ADDITIVE MANUFACTURING USING PHOTOREGULATED RADICAL POLYMERIZATION Dow Global Technologies LLC (US) 2018-01-24 EP claimed
US-20170240660-A1 USING ORGANIC PHOTOREDOX CATALYSTS TO ACHIEVE METAL FREE PHOTOREGULATED CONTROLLED RADICAL POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC 2017-08-24 US claimed
EP-3204434-A1 USING ORGANIC PHOTOREDOX CATALYSTS TO ACHIEVE METAL FREE PHOTOREGULATED CONTROLLED RADICAL POLYMERIZATION Dow Global Technologies Llc (US) 2017-08-16 EP claimed
WO-2016057486-A1 USING ORGANIC PHOTOREDOX CATALYSTS TO ACHIEVE METAL FREE PHOTOREGULATED CONTROLLED RADICAL POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-14 WO claimed
US-20240317729-A1 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-26 US disclosed
US-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 US disclosed
CN-117736134-A Compounds and methods for enhancing degradation of target proteins and other polypeptides by E3 ubiquitin ligases 耶鲁大学 2024-03-22 CN disclosed
EP-4263526-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 EP disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
EP-0061768-A1 N-amido substituted dipeptides USV PHARMACEUTICAL CORPORATION (US) 1982-10-06 EP disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 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 (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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK ALDH1A1 412/4885TDP1 2058/4885MAPK1 1427/4885
US-20240317729-A1 Compounds & Methods for the Enhanced Degradation of Targeted Proteins & Other Polypeptides by an E3 Ubiquitin Ligase MDM2, VHL, XIAP ALDH1A1 2756/4885TDP1 3547/4885MAPK1 4343/4885

“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.