SCHEMBL7040504

SCHEMBL7040504

CCOC(CN(CC(OCC)OCCOCCOCCOCCOCCOC)c1ccc(N)c(OC)c1)OCCOCCOCCOCCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
S100B P04271 1/20 0.31
APP P05067 1/20 0.30
HTT P42858 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
SCHEMBL7059521 0.95 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7040510 0.90 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7059525 0.85 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7043243 0.84 POLB (0.33) S100B
SCHEMBL6290903 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7038341 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7039034 0.74 POLB (0.34) S100B
SCHEMBL7043247 0.73 POLB (0.32)
SCHEMBL6290905 0.72 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7043572 0.72 S100B (0.46) 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 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

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 ALDH1A1 383/4885CYP3A4 364/4885TSHR 4453/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 ALDH1A1 361/4885CYP3A4 577/4885TSHR 4776/4885

“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.