SCHEMBL29378641

SCHEMBL29378641

COc1cc2c(cc1OC)-c1cc3ccc4c(c3c[n+]1CC2)OCO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
LMNA P02545 4/20 1.00
ALDH1A1 P00352 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KDM1A O60341 3/20 1.00
KDM4E B2RXH2 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
POLB P06746 1/20 1.00
HPGD P15428 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
SAE1 Q9UBE0 1/20 1.00
UBA2 Q9UBT2 1/20 1.00
IDO1 P14902 2/20 0.76
METTL3 Q86U44 1/20 0.74
METTL14 Q9HCE5 1/20 0.74
ACHE P22303 7/20 0.67
EP300 Q09472 5/20 0.67
BCHE P06276 5/20 0.67
CYP3A4 P08684 4/20 0.67

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
SCHEMBL29595926 0.92 KDM1A (0.85) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL31392604 0.86 IDO1 (1.00) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL156866 0.86 IDO1 (1.00) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL29931632 0.86 IDO1 (1.00) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL154528 0.85 METTL3 (1.00) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL2441815 0.85 IDO1 (0.98) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Columbamine SCHEMBL7604369 0.84 CYP3A4 (0.78) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
SCHEMBL26620431 0.84 ALDH1A1 (0.72) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Coptisine SCHEMBL8858972 0.80 IDO1 (0.87) MAPTLMNAALDH1A1SMN1; SMN2KDM1A
Berberine SCHEMBL15669190 0.80 ACHE (1.00) MAPTLMNAALDH1A1SMN1; SMN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116687924-A Application of berberine and derivatives thereof 中国医学科学院药物研究所 2023-09-05 CN disclosed
CN-115813983-A Preparation method and application of coptis and magnolia officinalis high-efficiency extract and microemulsion thereof 成都大学 2023-03-21 CN disclosed
CN-115666636-A Delivery of gene expression modulators for treatment of cancer and viral infections 中佛罗里达大学研究基金会有限公司 2023-01-31 CN disclosed
CN-112851661-B Method for modularly and diversely synthesizing benzophenanthridine and protoberberine alkaloids 华东师范大学 2022-12-06 CN disclosed
CN-114504651-A Antibodies, uses and methods 科马布有限公司 2022-05-17 CN disclosed
CN-114504652-A Antibodies, uses and methods 科马布有限公司 2022-05-17 CN disclosed
CN-108064169-B Antibodies, uses and methods 科马布有限公司 2022-02-11 CN disclosed
CN-114018838-A Method for measuring total alkaloid content in traditional Chinese medicine preparation 汕头市美宝制药有限公司 2022-02-08 CN disclosed