SCHEMBL4847583

SCHEMBL4847583

c1ccc2cc3c(cc2c1)-c1cccc2cc4ccccc4c-3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 5/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 3/20 0.57
HPGD P15428 3/20 0.57
HIF1A Q16665 3/20 0.57
CASP1 P29466 2/20 0.57
TP53 P04637 1/20 0.57
CASP7 P55210 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
CYP1A2 P05177 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ANPEP P15144 1/20 0.43
ATM Q13315 1/20 0.41
NQO2 P16083 2/20 0.40

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
SCHEMBL69110 0.88 CES1 (0.65) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL29531588 0.88 CES1 (0.65) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL27952867 0.85 CES1 (0.61) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL14133419 0.83 CES1 (0.44) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL14134193 0.83 CES1 (0.44) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL17034792 0.81 CES1 (0.57) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL24832053 0.81 CES1 (0.53) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL23802651 0.81 CES1 (0.53) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL24832555 0.81 CES1 (0.53) CES1ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL14134212 0.81 CES1 (0.46) CES1ALDH1A1HSD17B10TSHRMAPK1

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 9 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
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
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed