SCHEMBL1398327

SCHEMBL1398327

COc1cc(C#N)ccc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
AR P10275 3/20 0.47
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
PRKDC P78527 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
ERN1 O75460 2/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40

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
SCHEMBL29955071 1.00 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL29950818 0.86 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL5221782 0.86 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1AR
SCHEMBL2637060 0.84 APP (0.51) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL2637062 0.84 APP (0.51) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL27921460 0.82 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL21162204 0.82 AR (0.47) ALDH1A1ARGAKRIPK2COQ8A
SCHEMBL18570516 0.82 AR (0.54) ALDH1A1ARERN1
SCHEMBL3699034 0.81 ALDH1A1 (0.52) ALDH1A1ARLMNAHPGDCYP1A2
SCHEMBL11980116 0.78 TRPV4 (0.39) ALDH1A1L3MBTL1ARHPGDRAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010932-A Preparation method of non-neridrone raw material 常州市阳光药业有限公司 2026-05-12 CN claimed
CN-120081759-A Preparation method of non-nefarone key intermediate 4-cyano-2-methoxybenzaldehyde 江苏科技大学 2025-06-03 CN claimed
WO-2025081981-A1 FINERENONE INTERMEDIATE, PREPARATION METHOD THEREFOR AND PREPARATION METHOD FOR FINERENONE 山东诚创蓝海医药科技有限公司 2025-04-24 WO claimed
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO claimed
CN-119859112-A Preparation method of non-neridrone key intermediate 山东诚创蓝海医药科技有限公司 2025-04-22 CN claimed
CN-119751304-A 4-Cyano-2-methoxybenzaldehyde and preparation method thereof 滁州市庆云医药有限公司 2025-04-04 CN claimed
CN-119751447-A Asymmetric catalytic synthesis method of naphthyridine formamide medicament 上海彩迩文生化科技有限公司 2025-04-04 CN claimed
CN-119504493-A Non-neridrone key intermediate and preparation method thereof 滁州市庆云医药有限公司 2025-02-25 CN claimed
CN-119355157-A Method for determining impurity content of 4-cyano-2-methoxybenzaldehyde serving as non-nelidanone starting material 江苏联环药业股份有限公司 2025-01-24 CN claimed
CN-119119038-A Preparation method of non-nereirenone racemate 济宁学院 2024-12-13 CN claimed
CN-117417268-A Preparation method of 4-cyano-2-methoxybenzaldehyde 四川新迪生物制药有限公司 2024-01-19 CN claimed
CN-117304067-A Synthesis method of non-nefardone intermediate 4-cyano-2-methoxybenzaldehyde 南京工业大学 2023-12-29 CN claimed
CN-114605410-B Preparation method of non-neridrone bulk drug 浙江科聚生物医药有限公司 2023-12-29 CN claimed
EP-4286368-A1 METHOD FOR THE PREPARATION OF 4-FORMYL-3-METHOXYBENZONITRILE Bayer Aktiengesellschaft (DE) 2023-12-06 EP claimed
WO-2023109968-A2 SYNTHESIS METHOD FOR FINERENONE AND INTERMEDIATE THEREOF 上海鼎雅药物化学科技有限公司 2023-06-22 WO claimed
CN-115991661-A Preparation method of high-purity non-neridone key intermediate 浙江科聚生物医药有限公司 2023-04-21 CN claimed
CN-115368272-A Preparation method of 4-cyano-2-methoxybenzaldehyde 汉瑞药业(荆门)有限公司 2022-11-22 CN claimed
CN-114605410-A Preparation method of non-neferitone bulk drug 浙江科聚生物医药有限公司 2022-06-10 CN claimed
CN-114149427-A Synthesis method of non-neferitone and intermediate thereof 上海鼎雅药物化学科技有限公司 2022-03-08 CN claimed
CN-107721869-A A kind of synthetic method of the cyanobenzaldehyde of 2 methoxyl group 4 上海雅本化学有限公司 2018-02-23 CN claimed