SCHEMBL184614

SCHEMBL184614

COC(=O)c1cc(Br)cc(C(=O)OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.67
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA12 O43570 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
KDM4E B2RXH2 5/20 0.56
LMNA P02545 2/20 0.56
XDH P47989 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
GFER P55789 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
FUT7 Q11130 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.52

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
Methyl 3,5-Dibromobenzoate SCHEMBL2408987 0.95 NOTUM (0.67) NOTUMCA1CA2CA12CA7
SCHEMBL2224889 0.92 NOTUM (0.59) NOTUMCA1CA2CA12CA7
SCHEMBL1068820 0.92 NOTUM (0.59) NOTUMCA1CA2CA12CA7
SCHEMBL14783973 0.90 NOTUM (0.57) NOTUMCA1CA2CA12CA7
SCHEMBL16410313 0.88 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL3063705 0.88 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL29730823 0.88 NOTUM (0.56) NOTUMCA1CA2CA12CA7
SCHEMBL147169 0.87 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL839253 0.87 NOTUM (0.59) NOTUMCA1CA2CA12CA7
SCHEMBL29672166 0.87 CA12 (0.73) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122025687-A All-vanadium redox flow battery bipolar plate and preparation method thereof 广东中科天钒储能科技有限公司 2026-05-12 CN claimed
US-20260008751-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF UNIWERSYTET WARSZAWSKI (PL) 2026-01-08 US claimed
EP-4551557-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF Uniwersytet Warszawski (PL) 2025-05-14 EP claimed
CN-118324803-A Eutectic compound for pesticide intermediate fluorescence detection and preparation method and application thereof 福建省农业科学院农业质量标准与检测技术研究所 2024-07-12 CN claimed
CN-117402289-A Room-temperature phosphorescent material of polyacrylamide copolymer containing biaryl compound and preparation method thereof 广东工业大学 2024-01-16 CN claimed
WO-2024010473-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF UNIWERSYTET WARSZAWSKI (PL) 2024-01-11 WO claimed
US-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TIANJIN NORMAL UNIVERSITY (CN) 2023-06-22 US claimed
CN-115745771-A Preparation method of biphenyl aromatic conjugated polycarboxylic acid 常州大学 2023-03-07 CN claimed
CN-110642684-B Macrocyclic and cage-shaped molecules based on biphenyl arene and derivative compounds thereof, and synthetic method and application thereof 天津师范大学 2022-07-26 CN claimed
WO-2021073456-A1 MACROCYCLIC AND CAGE-LIKE MOLECULES BASED ON BIPHENYLARENE AND DERIVATIVE COMPOUNDS, SYNTHESIS METHOD THEREFOR AND USE THEREOF 天津师范大学 2021-04-22 WO claimed
CN-110642684-A Macrocyclic and cage-shaped molecules based on biphenyl arene and derivative compounds thereof, and synthetic method and application thereof 天津师范大学 2020-01-03 CN claimed
CN-105199095-A Amphipathic molecular probe based on sulfhydryl substance detection and synthesis method thereof UNIV NANJING POSTS & TELECOMM 2015-12-30 CN claimed
CN-103030655-A Microporous transition-group metal organic framework material, and preparation and application methods thereof UNIV ZHEJIANG 2013-04-10 CN claimed
CN-122025687-A All-vanadium redox flow battery bipolar plate and preparation method thereof 广东中科天钒储能科技有限公司 2026-05-12 CN disclosed
US-20260008751-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF UNIWERSYTET WARSZAWSKI (PL) 2026-01-08 US disclosed
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH BEIJING BIOPHARMA TECH CO LTD (CN) 2025-10-23 US disclosed
WO-2000053640-A1 CONTROLLED FREE RADICAL EMULSION AND WATER-BASED POLYMERIZATIONS AND SEEDED METHODOLOGIES SYMYX TECHNOLOGIES, INC. (US) 2000-09-14 WO disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed
US-5731350-A Substituted benzenedicarboxylic acid diguanides, process for their preparation, their use as a medicament or diagnostic, and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 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 (3 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-20230192692-A1 MACROCYCLIC AND CAGE-LIKE MOLECULE BASED ON BIPHEN[n]ARENE AND DERIVATIVE, SYNTHESIS METHOD AND USE THEREOF TPMT, NUDT1, PNP NOTUM 3278/4885CA1 251/4885CA2 366/4885
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF MRGPRX4, MRGPRX1, MRGPRX2 NOTUM 3052/4885CA1 2608/4885CA2 1798/4885
US-20260008751-A1 NITROXYL POLYPHENOL DERIVATIVE, METHODS FOR THE PREPARATION THEREOF AND USE THEREOF NFE2L2, NQO1, NOS3 NOTUM 148/4885CA1 2837/4885CA2 1582/4885

“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.