SCHEMBL29637865

SCHEMBL29637865

C=Cc1ccc(C)c2c(C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 5/20 0.37
ESR2 Q92731 1/20 0.35
PARP1 P09874 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TYMS P04818 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL943891 1.00 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1ESR2PARP1
SCHEMBL11697028 0.79 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1ESR2TRIM24
SCHEMBL1251795 0.79 MEN1 (0.50) CYP1A2CYP2A6ALDH1A1PARP1TRIM24
SCHEMBL9680135 0.78 HTR6 (0.34) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL6562421 0.78 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1ESR2PARP1
SCHEMBL273442 0.78 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL31544570 0.78 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL19602299 0.77 F2RL1 (0.42) CYP1A2CYP2A6ALDH1A1ESR2PARP1
SCHEMBL29378790 0.74 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1TDP1MAPT
SCHEMBL598068 0.74 CYP1A2 (0.67) CYP1A2CYP2A6ALDH1A1TDP1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478843-B Method for terminating anionic polymerization 财团法人工业技术研究院 2023-08-04 CN claimed
WO-2025049846-A1 HYDROGENATED POLYMERS PRODUCED USING ANTIOXIDANT, AND RUBBER COMPOSITIONS INCORPORATING SAME BRIDGESTONE CORPORATION (JP) 2025-03-06 WO disclosed
CN-113227174-B Functionalized rubbers 戴纳索尔埃拉斯托默罗斯有限公司 2024-04-26 CN disclosed
CN-114478843-B Method for terminating anionic polymerization 财团法人工业技术研究院 2023-08-04 CN disclosed
CN-112752739-B Polyamine additives 路博润先进材料公司 2022-11-11 CN disclosed
CN-114478843-A Method for terminating anionic polymerization 财团法人工业技术研究院 2022-05-13 CN disclosed