SCHEMBL31589433

SCHEMBL31589433

CCc1ccc(OC)c(C(C)C)c1-c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
DUSP3 P51452 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
APP P05067 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 4/20 0.39
NPC1 O15118 3/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA2A P29274 2/20 0.39
FGB P02675 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10701444 0.75 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL7367350 0.74 HTR2A (0.37) HSD17B10
SCHEMBL23095063 0.68 MAPT (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL9876094 0.68 CA12 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL28280301 0.68 KMT2A (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL9814047 0.68 KDM4E (0.53) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL5517143 0.68 PARP1 (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8429646 0.68 CYP2C9 (0.57) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL19968140 0.67 HTR7 (0.45) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5068620 0.67 KDM4E (0.46) KDM4EALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040272-A Method for producing m-ethyl anisole and p-ethyl anisole by using xylenol oil 煤炭科学技术研究院有限公司 2025-05-27 CN claimed
CN-120040272-A Method for producing m-ethyl anisole and p-ethyl anisole by using xylenol oil 煤炭科学技术研究院有限公司 2025-05-27 CN disclosed