SCHEMBL2851807

SCHEMBL2851807

CCOC(=O)C(=O)C(C)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
GSK3B P49841 2/20 0.47
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
SLC6A4 P31645 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOB P27338 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8877228 0.86 GSK3B (0.45) NPSR1GSK3BCES2CES1EPHX2
SCHEMBL2858714 0.84 MAPT (0.49) NPSR1CES2CES1EPHX2PPARG
SCHEMBL16883572 0.81 KMT2A (0.43) NPSR1POLBMAPTALDH1A1MAOB
SCHEMBL2117704 0.81 KMT2A (0.49) NPSR1CES2CES1SLC6A4MAPT
SCHEMBL277081 0.81 SMN1; SMN2 (0.48) CES2CES1EPHX2MAPTALDH1A1
SCHEMBL1741190 0.80 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2852255 0.79 HDAC3 (0.48) CES2CES1SLC6A4MAPTALDH1A1
SCHEMBL4800700 0.79 SMN1; SMN2 (0.47) CES2CES1EPHX2MAPTALDH1A1
SCHEMBL859597 0.79 CES2 (0.60) NPSR1GSK3BCES2CES1EPHX2
SCHEMBL14346527 0.78 CA12 (0.36) MAPTALDH1A1GAASMN1; SMN2LMNA

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-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 US 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-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 NPSR1 82/4885GSK3B 3119/4885CES2 1246/4885

“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.