SCHEMBL30101115

SCHEMBL30101115

COc1cc(C)ccc1-c1n[nH]c(=O)c2cccc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 2/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
ROCK1 Q13464 1/20 0.37
PARP1 P09874 4/20 0.37
NQO2 P16083 1/20 0.36
PRMT1 Q99873 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30101072 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28934306 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL30101063 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL30108722 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28934651 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28934472 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28934442 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL30108665 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL28934538 0.76 SCN9A (0.48) PDE4APDE4BPDE4CPDE4DROCK1
SCHEMBL28934452 0.75 MAPT (0.39) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
WO-2022253326-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF 药捷安康(南京)科技股份有限公司 2022-12-08 WO disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD PDE4A 1993/4885PDE4B 1923/4885PDE4C 3327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.