SCHEMBL7529797

SCHEMBL7529797

COc1c(Br)cc(O)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.47
ERN1 O75460 9/20 0.46
CA2 P00918 2/20 0.44
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CA1 P00915 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TPMT P51580 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA4 P22748 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1071145 0.81 ERN1 (0.53) PRKDCERN1CA2CA1TDP1
SCHEMBL1119262 0.81 PRKDC (0.50) PRKDCERN1CA2TRIM24TYR
SCHEMBL28220297 0.79 CYP3A4 (0.63) PRKDCERN1CA2TRIM24TYR
SCHEMBL28610832 0.78 ERN1 (0.46) ERN1CA2TRIM24TYRTRIM33
SCHEMBL2389960 0.78 ERN1 (0.55) PRKDCERN1CA2CA1TPMT
SCHEMBL9319337 0.78 ERN1 (0.54) PRKDCERN1CA2TRIM24TYR
SCHEMBL10265990 0.78 PRKDC (0.47) PRKDCERN1CA2CA1TPMT
SCHEMBL1302354 0.77 TPMT (0.63) PRKDCERN1CA2CA1TPMT
SCHEMBL5881501 0.76 ERN1 (0.53) PRKDCERN1CA2CA1TPMT
SCHEMBL1302996 0.76 TPMT (0.45) PRKDCERN1CA2CA1TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227625-B2 Composite materials comprising mechanical ligands NANOCORE APS (DK) 2025-02-18 US disclosed
EP-4119598-A1 NANOCOMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore ApS (DK) 2023-01-18 EP disclosed
EP-3737711-B1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2022-04-06 EP disclosed
CN-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
EP-3737711-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore Aps (DK) 2020-11-18 EP disclosed
US-20200354220-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2020-11-12 US disclosed
CN-111868146-A Composite materials comprising mechanical ligands 纳诺科尔有限公司 2020-10-30 CN disclosed
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
EP-0585371-A4 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INT (US) 1994-07-13 EP disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed