SCHEMBL31177972

SCHEMBL31177972

c1ccc2c(c1)c1ccc3c4cccc5c6cccc7c8cccc9c%10ccc%11c%12ccccc%12c%12cc2c2c1c3c1c(c54)c(c67)c(c89)c3c%10c%11c%12c2c13

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP1A2 P05177 3/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 1/20 0.48
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
HPRT1 P00492 3/20 0.39
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPM4 Q8TD43 1/20 0.32
CYP1B1 Q16678 1/20 0.31
CYP2A6 P11509 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5471422 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5470389 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5467001 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5474056 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4846327 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5473858 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5465711 0.92 HSD17B10 (0.43) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2537906 0.91 CYP1A2 (0.55) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4847348 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5476671 0.88 HSD17B10 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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
EP-4674238-A1 HOLE-SELECTIVE CONTACT MATERIAL, PHOTOELECTRIC CONVERSION DEVICE AND POLYCYCLIC AROMATIC HYDROCARBON COMPOUND Okinawa Institute of Science and Technology School Corporation (JP) 2026-01-07 EP disclosed
WO-2024181467-A1 HOLE-SELECTIVE CONTACT MATERIAL, PHOTOELECTRIC CONVERSION DEVICE AND POLYCYCLIC AROMATIC HYDROCARBON COMPOUND OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2024-09-06 WO disclosed