SCHEMBL23925015

SCHEMBL23925015

Nc1ccccc1-c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP3A4 P08684 2/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.58
KEAP1 Q14145 1/20 0.58
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
PRKCZ Q05513 1/20 0.46
DHFR P00374 1/20 0.45
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL29424573 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL3798335 0.87 CA12 (0.62) ALDH1A1HSD17B10HPGDTSHRCA12
SCHEMBL2003924 0.85 PRKCZ (0.61) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29456916 0.85 PRKCZ (0.61) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29521589 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL56035 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL30122908 0.84 CA12 (0.66) ALDH1A1HSD17B10HPGDTSHRCA12
SCHEMBL22325661 0.83 CA12 (0.49) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL21905510 0.83 CA12 (0.51) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29456730 0.83 CA12 (0.51) ALDH1A1HSD17B10CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12295254-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device, and display device SAMSUNG SDI CO., LTD. (KR) 2025-05-06 US disclosed
US-20210328149-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-10-21 US disclosed