SCHEMBL1230563

SCHEMBL1230563

COc1c(C(=O)O)cc2c(c1OC)C(=O)OC21c2ccc(O)c(Cl)c2Oc2c1ccc(O)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.44
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
ALDH1A1 P00352 6/20 0.35
DHFR P00374 1/20 0.35
TYMS P04818 1/20 0.35
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
HIF1A Q16665 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL8207884 0.81 SMAD3 (0.48) SMAD3GNG2GNB1ALDH1A1DHFR
SCHEMBL701249 0.81 SMAD3 (0.44) SMAD3GNG2GNB1ALDH1A1DHFR
SCHEMBL10774632 0.80 HPGD (0.51) SMAD3ALDH1A1HPGDTDP1MEN1
SCHEMBL17001191 0.75 SMAD3 (0.45) SMAD3GNG2GNB1ALDH1A1HPGD
SCHEMBL4478640 0.75 SMAD3 (0.42) SMAD3GNG2GNB1ALDH1A1TDP1
SCHEMBL1682554 0.75 SMAD3 (0.40) SMAD3GNG2GNB1ALDH1A1HPGD
SCHEMBL3418230 0.73 HPGD (0.45) SMAD3ALDH1A1HPGDTDP1MEN1
SCHEMBL154596 0.72 MEN1 (0.40) SMAD3GNG2GNB1ALDH1A1HPGD
SCHEMBL20526344 0.71 SMAD3 (0.41) SMAD3GNG2GNB1ALDH1A1DHFR
SCHEMBL29401708 0.71 GNG2 (0.50) SMAD3GNG2GNB1ALDH1A1DHFR

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4340701-A1 BIOMARKERS FOR AGE-RELATED MACULAR DEGENERATION Belite Bio, LLC (US) 2024-03-27 EP disclosed
EP-4337932-A1 SYSTEMS FOR DETECTING LIGHT BY BIREFRINGENT FOURIER TRANSFORM INTERFEROMETRY AND METHODS FOR USING SAME Becton, Dickinson and Company (US) 2024-03-20 EP disclosed
WO-2024028486-A1 IN VITRO METHOD FOR OBTAINING CLINICAL-GRADE CD8+ CD45RCLOW/- REGULATORY T CELLS NANTES UNIVERSITE (FR) 2024-02-08 WO disclosed
EP-4291901-A1 USE OF MARKERS FOUND ON LYMPH NODE METASTATIC SAMPLES FOR THE PROGNOSIS OF BREAST CANCER Universität Zürich (CH) 2023-12-20 EP disclosed
WO-2023239730-A1 SYSTEMS FOR RECONSTITUTING DRIED REAGENT COMPOSITIONS AND METHODS FOR USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-12-14 WO disclosed
WO-2023219758-A1 SYSTEMS FOR VACUUM MEDIATED LIPOSOME PREPARATION, AND METHODS FOR USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-11-16 WO disclosed
WO-2023129460-A2 TUMOR MHC CLASS I EXPRESSION IS ASSOCIATED WITH INTERLEUKIN-2 RESPONSE IN MELANOMA MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-07-06 WO disclosed
US-20230125113-A1 MEASUREMENT OF PROTEIN EXPRESSION USING REAGENTS WITH BARCODED OLIGONUCLEOTIDE SEQUENCES CELLULAR RESEARCH, INC. 2023-04-27 US disclosed
US-20220042884-A1 DEVICES AND METHODS FOR TISSUE AND CELL STAINING (II) ESSENLIX CORPORATION (US) 2022-02-10 US disclosed
EP-3918090-A1 OLIGONUCLEOTIDE-COMPRISING CELLULAR COMPONENT-BINDING REAGENTS AND METHODS OF USING THE SAME Becton, Dickinson and Company (US) 2021-12-08 EP disclosed
EP-1108060-A1 MOLECULAR DIFFERENCES BETWEEN SPECIES OF THE $i(M. TUBERCULOSIS) COMPLEX THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2001-06-20 EP disclosed
EP-0912597-A4 NUCLEIC ACID AMPLIFICATION OLIGONUCLEOTIDES WITH MOLECULAR ENERGY TRANSFER LABELS AND METHODS BASED THEREON INTERGEN COMPANY (US) 2001-04-11 EP disclosed
WO-2001006013-A1 METHODS FOR DETERMINING THE SPECIFICITY AND SENSITIVITY OF OLIGONUCLEOTIDES FOR HYBRIDIZATION ROSETTA INPHARMATICS, INC. (US) 2001-01-25 WO disclosed
EP-1056765-A1 HUMAN POTASSIUM CHANNEL GENES Icagen, Inc. (US) 2000-12-06 EP disclosed
US-6130073-A DETECTING A TARGET NUCLEOTIDE SEQUENCES IN A SAMPLE; AMPLIFYING TARGET NUCLEOTIDE SEQUENCES BY PRIMER EXTENSION, LIGATING OLIGONUCLEOTIDE PROBES AND DETECTING LIGATION PRODUCTS PERKIN-ELMER CORP., APPLIED BIOSYSTEMS DIVISION (US) 2000-10-10 US disclosed
WO-2000011214-A1 MOLECULAR DIFFERENCES BETWEEN SPECIES OF THE M. TUBERCULOSIS COMPLEX THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-03-02 WO disclosed
WO-2000003037-A1 SCREENING ARRAYS OF NUCLEOTIDES TO DETERMINE CORRESPONDENCE WITH BOTH SEQUENCE AND PHYSICAL PROPERTIES OF A PROBE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-01-20 WO disclosed
WO-1999043696-A1 HUMAN POTASSIUM CHANNEL GENES ICAGEN INC. (US) 1999-09-02 WO disclosed
EP-0912597-A1 NUCLEIC ACID AMPLIFICATION OLIGONUCLEOTIDES WITH MOLECULAR ENERGY TRANSFER LABELS AND METHODS BASED THEREON ONCOR, INC. (US) 1999-05-06 EP disclosed
WO-1998002449-A1 NUCLEIC ACID AMPLIFICATION OLIGONUCLEOTIDES WITH MOLECULAR ENERGY TRANSFER LABELS AND METHODS BASED THEREON ONCOR, INC. (US) 1998-01-22 WO disclosed