SCHEMBL6290905

SCHEMBL6290905

COc1cc(N(CCOCCOCCOCCOCCOCCOC(C)OC)CCOCCOCCOCCOCCOCCOC(C)OC)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
APP P05067 1/20 0.31
S100B P04271 1/20 0.31
PPARG P37231 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
SCHEMBL6747642 0.90 TLR8 (0.32)
SCHEMBL6290903 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7059525 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7040510 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL10688116 0.81 S100B (0.54) HTTS100B
SCHEMBL9659183 0.81 S100B (0.54) HTTS100B
SCHEMBL6285792 0.77 TLR8 (0.34) ALDH1A1CYP3A4S100B
SCHEMBL10486458 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL11315881 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6287315 0.73 APP (0.33) ALDH1A1APPS100B

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-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-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US disclosed
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
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 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 ALDH1A1 383/4885CYP3A4 364/4885TSHR 4453/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 ALDH1A1 139/4885CYP3A4 531/4885TSHR 4822/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 ALDH1A1 361/4885CYP3A4 577/4885TSHR 4776/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 ALDH1A1 477/4885CYP3A4 1112/4885TSHR 4520/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 ALDH1A1 321/4885CYP3A4 562/4885TSHR 4844/4885

“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.