SCHEMBL12889352

SCHEMBL12889352

CNC(=O)OCC1SCCCS1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA7 P36544 1/20 0.36
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL13434034 0.79 ALDH1A1 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12874136 0.77 ACHE (0.39) EPHX1
SCHEMBL161562 0.75 ALOX15 (0.34)
SCHEMBL1481888 0.73 ALDH1A1 (0.51)
SCHEMBL28344010 0.71 CHRM1 (0.36) CHRM1
SCHEMBL13435805 0.71 LMNA (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8392246 0.71 LMNA (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1752416 0.70
SCHEMBL23169214 0.69 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8393968 0.69 LMNA (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-20220009934-A1 NOVEL CARBAMATE ESTER COMPOUND AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME UNIMATEC CO., LTD. (JP) 2022-01-13 US disclosed
US-20110040043-A1 NOVEL DIURETHANE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME UNIMATEC CO., LTD. (JP) 2011-02-17 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 (2 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-20220009934-A1 NOVEL CARBAMATE ESTER COMPOUND AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME NCEH1, SUV39H1, CCNH CHRNB2 1836/4885CHRNA4 734/4885CHRM2 1077/4885
US-20110040043-A1 NOVEL DIURETHANE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME NCAPH, ODC1, CTH CHRNB2 1414/4885CHRNA4 2174/4885CHRM2 887/4885

“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.