SCHEMBL31473125

SCHEMBL31473125

O=c1occc2c1ccc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.56
PAX8 Q06710 1/20 0.52
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 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
SCHEMBL12486069 1.00 HPRT1 (0.56) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL31031794 0.83 PTGES (0.47) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL76183 0.83 PTGES (0.47) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL29641522 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL28095716 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL27513204 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL30855615 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL27697885 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL29641549 0.81 PTGES (0.46) HPRT1PAX8ALDH1A1TDP1HSD17B10
Isocoumarin SCHEMBL5816683 0.79 PTGES (0.44) HPRT1PAX8ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120051271-A Methods for treating infectious diseases 欣扬生医股份有限公司 2025-05-27 CN disclosed
CN-119698306-A Compositions and methods for diagnostic imaging 欣扬生医股份有限公司 2025-03-25 CN disclosed
CN-119654168-A Methods for treating autoimmune diseases 欣扬生医股份有限公司 2025-03-18 CN disclosed
CN-119403795-A Methods for treating central nervous system disorders 欣扬生医股份有限公司 2025-02-07 CN disclosed