SCHEMBL1709604

SCHEMBL1709604

O=C(OC1COC2C(OC(=O)c3ccc(N4CCN(C(F)(F)F)CC4)cc3)COC12)c1ccc(N2CCN(C(F)(F)F)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.45
PTPN1 P18031 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 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
SCHEMBL1708829 0.94 BCHE (0.44) BCHEMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1708821 0.84 BCHE (0.51) BCHEMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1709533 0.81 BCHE (0.45) BCHEPTPN1MAPTALDH1A1
SCHEMBL1708830 0.77 BCHE (0.52) BCHESMN1; SMN2HTT
SCHEMBL1708823 0.76 BCHE (0.51) BCHE
SCHEMBL1708826 0.76 BCHE (0.63) BCHE
SCHEMBL1708824 0.75 BCHE (0.47) BCHEMAPTSMN1; SMN2
SCHEMBL1708828 0.74 CYP2C19 (0.50) BCHEMAPTALDH1A1SMN1; SMN2
SCHEMBL1708825 0.74 BCHE (0.48) BCHEMAPTHPGD
SCHEMBL1708827 0.74 BCHE (0.39) BCHEMAPTALDH1A1

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 1786/4885PTPN1 836/4885MAPT 2730/4885

“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.