SCHEMBL1708830

SCHEMBL1708830

CCC(C)N1CCN(c2ccc(C(=O)OC3COC4C(OC(=O)c5ccc(N6CCN(C(C)CC)CC6)cc5)COC34)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.52
RAD52 P43351 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1708824 0.91 BCHE (0.47) BCHERAD52LMNASMN1; SMN2
SCHEMBL1708821 0.82 BCHE (0.51) BCHEHDAC3HDAC8LMNASMN1; SMN2
SCHEMBL1708823 0.79 BCHE (0.51) BCHEGAA
SCHEMBL1708826 0.79 BCHE (0.63) BCHE
SCHEMBL1709604 0.77 BCHE (0.45) BCHEHTTSMN1; SMN2
SCHEMBL1709533 0.77 BCHE (0.45) BCHE
SCHEMBL1708825 0.77 BCHE (0.48) BCHEHDAC3HDAC8GAA
SCHEMBL1708831 0.76 BCHE (0.59) BCHE
SCHEMBL1708829 0.75 BCHE (0.44) BCHEHDAC3HDAC8LMNASMN1; SMN2
SCHEMBL12199940 0.74 BCHE (0.58) BCHE

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-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 US disclosed
US-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 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-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME CX3CR1, CBX3, YBX3 BCHE 1786/4885RAD52 3660/4885HDAC3 1819/4885

“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.