SCHEMBL16342091

SCHEMBL16342091

CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)NC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
NFKB1 P19838 1/20 0.50
CHRM3 P20309 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRNA7 P36544 1/20 0.50
LMNA P02545 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 8/20 0.45
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL18776185 1.00 EPHX1 (0.59) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL8403603 0.91 CHRNB2 (0.58) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10815020 0.91 CHRNB2 (0.58) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL14340134 0.87 TSHR (0.56) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL42937 0.86
SCHEMBL2819850 0.84 ACHE (0.47) EPHX1MAPK1SMN1; SMN2ACHEALDH1A1
SCHEMBL13627734 0.84 TSHR (0.58) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL16541245 0.83 CHRNB2 (0.65) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL24318705 0.83 CHRNB2 (0.50) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5250584 0.83 CHRNB2 (0.50) EPHX1CHRNB2CHRNA4CHRM2CHRM4

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-9387267-B2 Iodine-containing radial-shaped macromolecular compounds, preparation method thereof and contrast media compositions for CT comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-07-12 US disclosed
US-20130150529-A1 IODINE-CONTAINING RADIAL-SHAPED MACROMOLECULAR COMPOUNDS, PREPARATION METHOD THEREOF AND CONTRAST MEDIA COMPOSITIONS FOR CT COMPRISING THE SOME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-06-13 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-20130150529-A1 IODINE-CONTAINING RADIAL-SHAPED MACROMOLECULAR COMPOUNDS, PREPARATION METHOD THEREOF AND CONTRAST MEDIA COMPOSITIONS FOR CT COMPRISING THE SOME IGFBP1, IGFBP5, IGFBP2 EPHX1 4117/4885CHRNB2 3277/4885CHRNA4 3969/4885

“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.