SCHEMBL6493822

SCHEMBL6493822

COc1cccc(Cc2ccc3c(=O)cc(C(C(C)C)N4CCN=C4C4=COC(Cc5ccccc5)O4)oc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ACHE P22303 11/20 0.35
PPARG P37231 1/20 0.34
BCHE P06276 3/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL643781 0.83 KIF11 (0.38) KCNH2ACHEPPARGBCHECA12
SCHEMBL643825 0.81 ACHE (0.33) ACHEBCHECA12CA9HTR1A
SCHEMBL644185 0.81 CYP19A1 (0.38) KCNH2ACHEBCHECA12CA9
SCHEMBL6493816 0.79 MCHR1 (0.41) PRKDCKCNH2MCHR1ACHE
SCHEMBL646933 0.79 MAOB (0.35) ACHEBCHECA12CA9HTR1A
SCHEMBL645289 0.74 KIF11 (0.43) KCNH2
SCHEMBL646148 0.72 KIF11 (0.33) KCNH2ACHE
SCHEMBL646433 0.72 NR3C1 (0.31) KCNH2
SCHEMBL6479589 0.71 NR3C1 (0.33)
SCHEMBL644257 0.64 KIF11 (0.45) PRKDCKCNH2ACHEPPARGCA12

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-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 PRKDC 84/4885KCNH2 2582/4885MCHR1 4421/4885

“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.