SCHEMBL30998134

SCHEMBL30998134

COc1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 2/20 0.48
MAPK3 P27361 1/20 0.48
MAP2K1 Q02750 1/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
HCRTR1 O43613 1/20 0.48
MAOA P21397 2/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL5030886 1.00 MAPT (0.54) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL3295801 0.86 GPR3 (0.48) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL21624251 0.84 NPC1 (0.45) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL30017704 0.84 NPC1 (0.45) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL30998129 0.83 MAPT (0.44) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL21206920 0.83 MAPT (0.44) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL21624232 0.83 MAPT (0.65) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL31676781 0.83 MAPT (0.65) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL5094726 0.82 EGFR (0.41) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL13113890 0.82 RAB9A (0.53) MAPTNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP claimed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO claimed
EP-4739648-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2026-05-13 EP disclosed
WO-2025108852-A1 PROCESS FOR THE PREPARATION OF UNSATURATED ESTERS BASF SE (DE) 2025-05-30 WO disclosed
WO-2025011972-A1 PHOTOISOMERIZATION OF GERANIAL AND NERAL BASF SE (DE) 2025-01-16 WO disclosed
CN-114805296-B Thioxanthone derivative, preparation method and application thereof 艾坚蒙(安庆)科技发展有限公司 2024-07-19 CN disclosed