SCHEMBL31087387

SCHEMBL31087387

COc1cc(O)c2c(=O)c3ccc(O)cc3n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.51
EGFR P00533 2/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
KDM1A O60341 1/20 0.45
MAOA P21397 7/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH2 P05091 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CTSV O60911 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL384499 0.88 EGFR (0.54) MGAMEGFRESR1ESR2KDM1A
SCHEMBL424353 0.86 HTT (0.62) MGAMEGFRKDM1AMAOAMAPT
SCHEMBL383072 0.85 HTT (0.61) MGAMEGFRKDM1AMAOAMAPT
Citpressine Ii SCHEMBL29711402 0.80 CTSV (0.52) MGAMEGFRESR1ESR2KDM1A
SCHEMBL1856523 0.79 MAPT (0.53) EGFRESR2MAOAMAPTHTT
SCHEMBL28164522 0.78 ATM (0.51) EGFRESR1MAOAMAPTHTT
SCHEMBL383854 0.76 MAPT (0.46) EGFRESR1ESR2KDM1AMAPT
SCHEMBL18288081 0.75 L3MBTL1 (0.60) EGFRMAOAMAPTHTTL3MBTL1
SCHEMBL31265892 0.74 HTT (0.69) MGAMESR2KDM1AMAOAMAPT
SCHEMBL9348595 0.73 CTSV (0.60) EGFRESR1ESR2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115656357-B Method for simultaneously detecting contents of 10 active ingredients in lignum naucleae leaves 中国医学科学院药用植物研究所海南分所 2024-09-13 CN claimed
CN-121914179-A Method for photocatalytic rearrangement of isocatharanthin lactam structure mediated by flavin and application 中国医学科学院药用植物研究所 2026-04-24 CN disclosed
CN-115656357-B Method for simultaneously detecting contents of 10 active ingredients in lignum naucleae leaves 中国医学科学院药用植物研究所海南分所 2024-09-13 CN disclosed