SCHEMBL2800404

SCHEMBL2800404

COc1ccc([C@@H]2CC(=O)N2c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.63
ESR2 Q92731 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 9/20 0.56
HSD11B1 P28845 1/20 0.53
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52
ATM Q13315 1/20 0.52
GFER P55789 2/20 0.51
MEN1 O00255 1/20 0.51
HTR7 P34969 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49

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
SCHEMBL14412033 0.93 KMT2A (0.62) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL15841547 0.92 GFER (0.60) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL15841548 0.92 GFER (0.60) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL29975007 0.92 L3MBTL1 (0.56) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL1997854 0.92 L3MBTL1 (0.56) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL14674682 0.90 ESR1 (0.51) ESR1ESR2L3MBTL1ALDH1A1HSD11B1
SCHEMBL10571737 0.84 ALDH1A1 (0.58) L3MBTL1ALDH1A1HSD11B1KMT2AKDM4E
SCHEMBL1995264 0.84 TUBB4A (0.54) ESR1ESR2L3MBTL1ALDH1A1KMT2A
SCHEMBL10574183 0.84 TDP1 (0.55) L3MBTL1ALDH1A1HSD11B1KMT2AGFER
SCHEMBL16488575 0.79 ALDH1A1 (0.57) L3MBTL1ALDH1A1HSD11B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302885-A1 RHODOSPIRILLUM RUBRUM CELLS THAT LOWER PLASMA CHOLESTEROL WHILE LEAVING OTHER SERUM PROTEIN LEVELS UNAFFECTED Curador (BE) 2025-10-02 US disclosed
US-20220331373-A1 RHODOSPIRILLUM RUBRUM CELLS THAT LOWER PLASMA CHOLESTEROL WHILE LEAVING OTHER SERUM PROTEIN LEVELS UNAFFECTED EZCOL B.V. (NL) 2022-10-20 US disclosed
CN-115135331-A Rhodospirillum rubrum cells for lowering plasma cholesterol while leaving other serum protein levels unaffected 埃兹科尔公司 2022-09-30 CN disclosed
US-8933255-B2 Nutraceuticals containing nitro fatty acids NITROMEGA CORP. (US) 2015-01-13 US disclosed
US-20100166918-A1 NUTRACEUTICALS CONTAINING NITRO FATTY ACIDS COMPLEXA, INC. 2010-07-01 US disclosed