SCHEMBL5162908

SCHEMBL5162908

COCCCCc1cc(CC(CC(NC(=O)OC(C)(C)C)C2CC(C(C)C)C(=O)O2)C(C)C)ccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.33
HRH3 Q9Y5N1 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB6 P18564 1/20 0.31

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
SCHEMBL6044590 0.86 REN (0.46) REN
SCHEMBL1931894 0.85 REN (0.46) REN
SCHEMBL429923 0.85 REN (0.39) REN
SCHEMBL842151 0.85 REN (0.46) REN
SCHEMBL9907059 0.85 REN (0.46) REN
SCHEMBL429921 0.85 REN (0.39) REN
SCHEMBL430348 0.85 REN (0.39) REN
SCHEMBL429920 0.85 REN (0.39) REN
SCHEMBL429922 0.85 REN (0.39) REN
SCHEMBL14788401 0.85 REN (0.46) REN

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-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-1764098-A1 Diaminoalcohols derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP 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-20070066604-A1 Diaminoalcohols as therapeutic compounds CTSD, FURIN, CTSL REN 161/4885HRH3 124/4885ITGAV 2342/4885

“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.