SCHEMBL417704

SCHEMBL417704

COc1ccc2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
POLB P06746 1/20 1.00
MAPK1 P28482 1/20 1.00
MAOA P21397 2/20 0.55
ESR1 P03372 1/20 0.55
AHR P35869 3/20 0.50
CMA1 P23946 1/20 0.50
TYR P14679 1/20 0.50
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 2/20 0.48
APP P05067 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SYK P43405 1/20 0.48
MMP12 P39900 1/20 0.47
ATM Q13315 1/20 0.47
MAOB P27338 1/20 0.46
GHSR Q92847 1/20 0.46
CCNE2 O96020 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
SCHEMBL30297601 1.00 MEN1 (1.00) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL17597245 0.89 MEN1 (0.79) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL25277620 0.86 MEN1 (0.76) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL8187780 0.85 MEN1 (0.73) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL30620465 0.85 MEN1 (0.73) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL1224829 0.85 MEN1 (0.73) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL29475284 0.84 MEN1 (0.72) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL29992449 0.83 MEN1 (0.71) MEN1KMT2APOLBMAPK1MAOA
SCHEMBL74720 0.83 MEN1 (0.71) MEN1KMT2APOLBMAPK1MAOA
Ethoxycarbonyl Group SCHEMBL28929781 0.83 KMT2A (0.69) MEN1KMT2APOLBMAPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118360801-A Anti-pilling wool fabric and preparation method thereof 王文俊 2024-07-19 CN claimed
CN-117886642-A Selenium-rich nutrient solution for tartary buckwheat production and application 成都大学 2024-04-16 CN claimed
CN-117886736-A 2-indolyl-3-imine indoline derivative, preparation method and application thereof 苏州昊帆生物股份有限公司 2024-04-16 CN claimed
CN-115350189-B Application of sinomenine derivative in preparation of medicines for treating colorectal cancer 兰州大学 2023-05-30 CN claimed
CN-114394963-B Isoxazoline compound, preparation method and application 西北农林科技大学 2023-05-23 CN claimed
CN-115350189-A Application of neocelandine derivative in preparation of medicine for treating colorectal cancer 兰州大学 2022-11-18 CN claimed
CN-115232052-A Tetraindolylmethane compound and preparation method and application thereof 南京工业大学 2022-10-25 CN claimed
CN-112574093-B Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2022-10-04 CN claimed
CN-114940979-A Method for improving cation-pi interaction by genetic code expansion and application 浙江大学 2022-08-26 CN claimed
CN-114478348-A Preparation method of 6-methoxyindole 南京焕然生物科技有限公司 2022-05-13 CN claimed
CN-109761875-A A kind of new method constructing amido bond 盐城工学院 2019-05-17 CN claimed
CN-109678784-A Thioetherification Benzazole compounds and preparation method thereof 天津师范大学 2019-04-26 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
EP-1294366-B1 PHARMACEUTICAL COMPOUNDS FOR TREATING COPD ASTRAZENECA AB (SE) 2004-08-18 EP claimed
US-20040029871-A1 Pharmaceutical compounds for treating copd ASTRAZENECA AB (SE) 2004-02-12 US claimed
CN-1427718-A Pharmaceutical compounds for the treatment of COPD ASTRAZENECA AB (SE) 2003-07-02 CN claimed
EP-1294366-A1 PHARMACEUTICAL COMPOUNDS FOR TREATING COPD AstraZeneca AB (SE) 2003-03-26 EP claimed
WO-2001085146-A1 PHARMACEUTICAL COMPOUNDS FOR TREATING COPD ASTRAZENECA AB (SE) 2001-11-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040029871-A1 Pharmaceutical compounds for treating copd MPO, SERPINB1, CAT MEN1 4804/4885KMT2A 3013/4885POLB 643/4885

“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.