SCHEMBL448708

SCHEMBL448708

C1=COc2ccccc2C=C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TRPA1 O75762 1/20 0.30

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
Methane SCHEMBL28958627 0.98 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL11660742 0.87 GAA (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
Pyridine SCHEMBL19136006 0.87 TSHR (0.32)
SCHEMBL27863044 0.81
Indole SCHEMBL28883757 0.80 TRPA1 (0.52) TRPA1
Hydrochlorthiazide SCHEMBL1043529 0.80
SCHEMBL16179 0.78 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL276861 0.78 LMNA (0.32) LMNACRHBPCRHR2SMN1; SMN2HTT
Acetic Acid SCHEMBL11057952 0.76 GAA (0.32) SMN1; SMN2
SCHEMBL20526419 0.76 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO claimed
CN-120004867-A Nitrogen-containing benzoxazole seven-membered ring compound and preparation method thereof 扬州大学 2025-05-16 CN claimed
CN-119977904-A Benzoxy (carbon/sulfur) azepine compound and application thereof in medicine 合肥工业大学 2025-05-13 CN claimed
CN-119504587-A Indenoazepine compound, preparation method and medical application thereof 贵州民族大学 2025-02-25 CN claimed
CN-119241528-A Benzo [ b ] oxepanes and uses thereof 浙江大学金华研究院 2025-01-03 CN claimed
CN-118638155-A Benzoxepin compound, preparation method and application thereof 黑龙江大学 2024-09-13 CN claimed
WO-2024102758-A2 N-(N-AMINOALKYL)PHENANTHRIDIUNIUM SERIES OF CHLORIDE-SENSITIVE FLUOROPHORES AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2024-05-16 WO claimed
CN-115490730-B Method for synthesizing selenium/sulfur ligand based on chiral BIDIME 安徽泽升科技有限公司 2023-04-21 CN claimed
CN-112552276-B Benzoxepin-5-ketone compound and preparation method and application thereof 中国科学院上海药物研究所 2023-03-21 CN claimed
CN-113173925-B Benzoxoepinoindole derivative and preparation method thereof 浙江大学 2022-11-11 CN claimed
EP-1600446-A1 New 3,3-dimethyl-5-cyano-benzoxepine derivatives useful for the preparation of 5-formyl-benzoxepine derivatives Merck Sante (FR) 2005-11-30 EP claimed
WO-2005111012-A1 NEW 3,3-DIMETHYL-5-CYANO-BENZOXEPINES DERIVATIVES USEFUL FOR THE PREPARATION OF 5-FORMYL-BENZOXEPINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-11-24 WO claimed
WO-2005044255-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2005-05-19 WO claimed
EP-0626954-A1 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GmbH (DE) 1994-12-07 EP claimed
WO-1994013658-A2 BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES MERCK PATENT GMBH (DE) 1994-06-23 WO claimed
EP-0388188-B1 Benzoxepin derivatives SUNTORY LTD (JP) 1994-01-12 EP claimed
EP-0187524-B1 A DIARYL BUTYRIC ACID DERIVATIVE AND THE PRODUCTION PROCESS THEREOF SUNTORY LIMITED (JP) 1992-07-29 EP claimed
US-5041444-A Hypoglycemic agents; anticoagulants SUNTORY LIMITED (JP) 1991-08-20 US claimed
EP-0388188-A1 Benzoxepin derivatives SUNTORY LIMITED (JP) 1990-09-19 EP claimed
EP-0187524-A2 A diaryl butyric acid derivative and the production process thereof SUNTORY LIMITED (JP) 1986-07-16 EP claimed