SCHEMBL1709533

SCHEMBL1709533

N#CN1CCN(c2ccc(C(=O)OC3COC4C(OC(=O)c5ccc(N6CCN(C#N)CC6)cc5)COC34)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.45
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1708827 0.92 BCHE (0.39) BCHEUSP30ALDH1A1MAPT
SCHEMBL1708821 0.84 BCHE (0.51) BCHEALDH1A1MAPT
SCHEMBL1709604 0.81 BCHE (0.45) BCHEALDH1A1MAPTPTPN1
SCHEMBL1708830 0.77 BCHE (0.52) BCHE
SCHEMBL1708829 0.76 BCHE (0.44) BCHEALDH1A1MAPT
SCHEMBL1708823 0.76 BCHE (0.51) BCHE
SCHEMBL1708826 0.76 BCHE (0.63) BCHE
SCHEMBL1708824 0.75 BCHE (0.47) BCHEMAPT
SCHEMBL1708828 0.74 CYP2C19 (0.50) BCHEALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL1708825 0.74 BCHE (0.48) BCHEMAPT

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-8287969-B2 Isosorbide derivatives and liquid crystal displays comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-16 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 1786/4885USP30 1768/4885ALDH1A1 2744/4885

“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.