SCHEMBL1708831

SCHEMBL1708831

CCCCCc1ccc(N2CCN(c3ccc(C(=O)OC4COC5C(OC(=O)c6ccc(N7CCN(c8ccc(C)cc8)CC7)cc6)COC45)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.59
S1PR1 P21453 1/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40

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
SCHEMBL1708826 0.96 BCHE (0.63) BCHES1PR1THRATHRBME2
SCHEMBL18754187 0.88 BCHE (0.63) BCHETHRATHRB
SCHEMBL14264266 0.88 BCHE (0.63) BCHETHRATHRB
SCHEMBL21704943 0.88 BCHE (0.63) BCHETHRATHRB
SCHEMBL15764102 0.88 BCHE (0.63) BCHETHRATHRB
SCHEMBL10306615 0.88 BCHE (0.63) BCHETHRATHRB
SCHEMBL14749470 0.86 BCHE (0.75) BCHETHRATHRBALDH1A1MAPT
SCHEMBL18133142 0.86 BCHE (0.75) BCHETHRATHRBALDH1A1MAPT
SCHEMBL14767332 0.86 BCHE (0.75) BCHETHRATHRBALDH1A1MAPT
SCHEMBL1708823 0.83 BCHE (0.51) BCHETHRATHRB

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 1786/4885S1PR1 3274/4885THRA 4206/4885

“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.