SCHEMBL6407060

SCHEMBL6407060

COc1c(CO)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
RARG P13631 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
KLF10 Q13118 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DHFR P00374 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL27935808 0.84 MAPT (0.43) MAPTKLF10CYP2C19MAPK14PDE4A
SCHEMBL13368066 0.84 RXRA (0.40) RARGRXRAPPARGCYP2C19CA1
SCHEMBL12929955 0.84 MAPT (0.43) MAPTRXRAKLF10CYP2C19MAPK14
SCHEMBL6567748 0.83 RARG (0.36) RARGRXRAPPARGCYP2C19CA1
SCHEMBL6568810 0.82 RARG (0.36) RARGRXRAPPARGCYP2C19CA1
SCHEMBL15590742 0.82 RXRA (0.36) RARGRXRAPPARGCYP2C19CA1
SCHEMBL7922175 0.81 CYP2C19 (0.34) RARGRXRAPPARGKLF10CYP2C19
SCHEMBL8397544 0.81 RARG (0.35) RARGRXRAPPARGCYP2C19CA1
SCHEMBL689446 0.81 MAPT (0.41) MAPTKLF10CYP2C19MAPK14PDE4A
SCHEMBL25952803 0.81 MAPT (0.41) MAPTCYP2C19PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 MAPT 4499/4885RARG 3071/4885RXRA 2046/4885

“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.