SCHEMBL30475402

SCHEMBL30475402

Cc1ccc(C(=O)Cl)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HTT P42858 1/20 0.55
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 5/20 0.46
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 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
SCHEMBL40769 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CES2CES1HTTPRSS1
SCHEMBL1773780 0.84 CES2 (0.39) SMN1; SMN2CES2CES1HTTALDH1A1
SCHEMBL2154161 0.84 HSD17B1 (0.43) SMN1; SMN2CES2CES1HTTALDH1A1
SCHEMBL31634804 0.84 CES2 (0.39) SMN1; SMN2CES2CES1HTTALDH1A1
SCHEMBL1375362 0.82 HDAC8 (0.41) SMN1; SMN2CES2CES1HTTALDH1A1
SCHEMBL31590951 0.82 TDP1 (0.48) SMN1; SMN2HTTALDH1A1POLBMAPT
SCHEMBL4276908 0.82 TRPA1 (0.47) SMN1; SMN2HTTALDH1A1POLBMAPT
SCHEMBL4546533 0.82 HPGD (0.53) SMN1; SMN2ALDH1A1NPC1LMNAPOLB
SCHEMBL2972020 0.82 TAS1R3 (0.51) SMN1; SMN2CES2CES1HTTALDH1A1
SCHEMBL925050 0.80 HDAC1 (0.61) CES2CES1HTTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242880-A1 THERAPEUTIC COMPOUNDS AND THEIR USE MY-T BIO LIMITED (GB) 2025-11-27 WO disclosed
CN-117924279-B MELK inhibitor and application thereof 中山大学 2024-07-16 CN disclosed
CN-117924279-A MELK inhibitor and application thereof 中山大学 2024-04-26 CN disclosed
CN-116635364-A Ester compound 三井化学株式会社 2023-08-22 CN disclosed
CN-113024368-B Double-molecular initiator based on benzanthrone as well as preparation method and application thereof 安庆飞凯新材料有限公司 2023-06-27 CN disclosed