SCHEMBL5543975

SCHEMBL5543975

CC(C)(C)ON(C=O)CC(OCCO)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.32
GSR P00390 1/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5543927 0.87 LMNA (0.31) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5550377 0.83
SCHEMBL25419166 0.71 GSR (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13126326 0.71 KDM4E (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4729185 0.71 TRPA1 (0.37) CYP3A4ALDH1A1CYP1A2OPRM1OPRK1
SCHEMBL8878079 0.70 ATM (0.38) POLBCYP1A2OPRM1OPRK1
SCHEMBL13126327 0.70 KDM4E (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5545676 0.70 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL3489157 0.69 LMNA (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5550370 0.69 GSR (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 SLC6A2 3057/4885SLC6A4 3806/4885SLC6A3 3120/4885

“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.