SCHEMBL5543927

SCHEMBL5543927

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

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL5543975 0.87 SLC6A2 (0.36) LMNAALDH1A1MAPTCYP1A2CHRM2
SCHEMBL5550377 0.83
SCHEMBL5550392 0.70 HTT (0.36) LMNACYP1A2CHRM2CHRM4CHRM5
SCHEMBL8878079 0.68 ATM (0.38) CYP1A2OPRM1OPRK1
SCHEMBL5543932 0.67 SYK (0.46) LMNAMAPTSMN1; SMN2
SCHEMBL7763429 0.67 MEN1 (0.41) LMNAALDH1A1TSHRHTT
SCHEMBL5968903 0.66 OPRD1 (0.37) ALDH1A1MAPTCHRM2CHRM4CHRM5
SCHEMBL4729185 0.66 TRPA1 (0.37) ALDH1A1CYP1A2OPRM1OPRK1MAPK1
SCHEMBL14365083 0.65 HTT (0.31) LMNACYP1A2CHRM2CHRM4CHRM5
SCHEMBL6949347 0.64 TAAR1 (0.44) CHRM2ADRA2ACHRM1SLC6A2SLC6A4

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 LMNA 693/4885ALDH1A1 1651/4885MAPT 4722/4885

“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.