SCHEMBL6287315

SCHEMBL6287315

CC(C)Oc1cc(N(CCOCCOCCOCCO)CCOCCOCCOCCO)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.33
TLR8 Q9NR97 1/20 0.33
EP300 Q09472 2/20 0.33
BACE1 P56817 1/20 0.32
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 2/20 0.32
S100B P04271 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6287087 1.00 APP (0.33) APPTLR8EP300BACE1POLB
SCHEMBL6285792 0.88 TLR8 (0.34) TLR8EP300BACE1POLBRXRA
SCHEMBL8067053 0.86 TLR8 (0.38) TLR8EP300BACE1POLBRXRA
SCHEMBL6747642 0.84 TLR8 (0.32) TLR8POLB
SCHEMBL13650225 0.83 EP300 (0.32) APPEP300
SCHEMBL8927925 0.83 TLR8 (0.35) TLR8EP300BACE1POLBRXRA
SCHEMBL6290911 0.82 APP (0.35) APPALDH1A1S100B
SCHEMBL13446184 0.80 S100B (0.53) APPPOLBALDH1A1S100BKDM4E
SCHEMBL20906695 0.80 S100B (0.53) APPPOLBALDH1A1S100BKDM4E
SCHEMBL6287886 0.80 S100B (0.53) APPPOLBALDH1A1S100BKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US claimed
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US claimed
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 claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 US claimed
US-6890362-B2 Oxidation dyeing composition for keratinous fibers and dyeing method using same L'OREAL, S.A. (FR) 2005-05-10 US disclosed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US disclosed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 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 (5 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 APP 939/4885TLR8 3493/4885EP300 2550/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 APP 739/4885TLR8 3523/4885EP300 2083/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 APP 895/4885TLR8 4482/4885EP300 2799/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 APP 792/4885TLR8 1812/4885EP300 1480/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 APP 740/4885TLR8 4396/4885EP300 3093/4885

“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.