SCHEMBL6356842

SCHEMBL6356842

CC(C=O)CC1CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.42
CDC25B P30305 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PAX8 Q06710 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 1/20 0.30
NTSR1 P30989 1/20 0.30
EPHX1 P07099 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL99021 0.85
SCHEMBL21067333 0.85
SCHEMBL2400205 0.79
SCHEMBL6472476 0.77 LIPA (0.40) LIPACDC25BKMT2AMEN1IDO1
SCHEMBL12216583 0.77 CTSK (0.38)
SCHEMBL10138778 0.77
SCHEMBL12216591 0.77 CTSK (0.38)
SCHEMBL2400021 0.76 IDO1 (0.30) IDO1TDO2
SCHEMBL12216588 0.75 CTSK (0.40)
SCHEMBL11449274 0.75 CTSK (0.40)

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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 LIPA 3686/4885CDC25B 1765/4885KMT2A 951/4885

“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.