SCHEMBL138449

SCHEMBL138449

COc1ccc(CC(=O)O)cc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
CA5A P35218 1/20 0.59
HDAC1 Q13547 6/20 0.58
HDAC6 Q9UBN7 4/20 0.58
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL14894169 0.86 GAA (0.68) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL2853330 0.86 HDAC1 (0.58) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL31612246 0.86 GAA (0.68) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL2734577 0.85 ABL1 (0.59) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL1462899 0.85 HDAC1 (0.57) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL136681 0.85 HDAC1 (0.60) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL31062186 0.84 ALDH1A1 (0.57) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL30049382 0.84 GAA (0.74) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL153055 0.84 GAA (0.74) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL3683765 0.83 FFAR4 (0.53) ALDH1A1TDP1HDAC1HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101353296-B Method for preparing (Z)-3'-hydroxy-3,4,4',5-tetramethoxy diphenyl ethylene from regenerative natural plant resource GUANGZHOU INST OF CHEMISTRY 2011-09-21 CN claimed
CN-101353296-A Method for preparing (Z)-3'-hydroxy-3,4,4',5-tetramethoxy diphenyl ethylene from regenerative natural plant resource GUANGZHOU INST OF CHEMISTRY (CN) 2009-01-28 CN claimed
CN-1312161-C 3-hydroxy-4,3',4',5'-tetromethoxy bibenzyl phosphate and its composition, prepn and application GUANGZHOU INST CHEMISTRY CAS (CN) 2007-04-25 CN claimed
CN-1280248-C Method for preparing 3-hydroxy-4,3',4',5' tetramethoxy bibenzil GUANGZHOU INST OF CHEMISTRY C (CN) 2006-10-18 CN claimed
CN-1266104-C Process for preparing (z)-3'-hydroxy-3,4,4',5-tetranetgixy diphenyl ethylene GUANGZHOU INST OF CHEMISTRY (CN) 2006-07-26 CN claimed
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
CN-120192323-A Pyrrolidone-containing compounds 正大天晴药业集团股份有限公司 2025-06-24 CN disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2024216197-A2 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES ACELOT, INC. (US) 2024-10-17 WO disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
CN-1108661-A Corticoid 17,21-dicarboxylic esters and corticosteroid 17-carboxylic ester 21-carbonic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-09-20 CN disclosed
CN-1105368-A Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-07-19 CN disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
EP-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP disclosed
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed