SCHEMBL7043572

SCHEMBL7043572

CCOCCOCCOCCOCCOCCOC(CN(CC(OCCO)OCCOCCOCCOCCOCCOCC)c1ccc(N)c(C)c1)OCCO

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.46

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
SCHEMBL7039214 0.98 S100B (0.46) S100B
SCHEMBL7040061 0.85 S100B (0.31) S100B
SCHEMBL7059521 0.77 ALDH1A1 (0.35) S100B
SCHEMBL13446184 0.76 S100B (0.53) S100B
SCHEMBL20906695 0.76 S100B (0.53) S100B
SCHEMBL6287886 0.76 S100B (0.53) S100B
SCHEMBL13446105 0.75 S100B (0.60) S100B
SCHEMBL11650522 0.75 S100B (0.64) S100B
SCHEMBL9192716 0.75 S100B (0.64) S100B
SCHEMBL7039034 0.74 POLB (0.34) S100B

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-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US disclosed
US-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent L'OREAL S.A. (FR) 2003-08-28 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 (2 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-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent KRT18, CDC73, DAO S100B 394/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 S100B 387/4885

“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.