SCHEMBL6287830

SCHEMBL6287830

CN(CCOCCOCCO)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.46
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PSMD14 O00487 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL31123215 0.85 TDP1 (0.41) APPALDH1A1MAPK1CYP3A4TDP1
SCHEMBL26775803 0.83 TDP1 (0.42) APPALDH1A1MAPK1CYP3A4TDP1
SCHEMBL9746244 0.83 ADRB2 (0.43) APPALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL24770500 0.83 APP (0.49) APPALDH1A1MAPK1CYP3A4TDP1
SCHEMBL6285267 0.83 APP (0.49) APPALDH1A1MAPK1CYP3A4TDP1
SCHEMBL1537864 0.80 ALDH1A1 (0.50) APPALDH1A1MAPK1CYP3A4TDP1
Hydrochloric Acid SCHEMBL11645826 0.80 ALDH1A1 (0.53) APPALDH1A1MAPK1CYP3A4TDP1
SCHEMBL31372345 0.80 CYP2A6 (0.44) APPALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11571924 0.79 HPGD (0.47) APPALDH1A1L3MBTL1HDAC3HDAC4
SCHEMBL13700876 0.78 MAPT (0.44) ALDH1A1MAPK1CYP3A4TDP1TP53

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 11 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-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
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 939/4885ALDH1A1 383/4885MAPK1 1723/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 APP 739/4885ALDH1A1 139/4885MAPK1 1163/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 APP 895/4885ALDH1A1 361/4885MAPK1 1544/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 APP 792/4885ALDH1A1 477/4885MAPK1 2549/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 APP 740/4885ALDH1A1 321/4885MAPK1 1409/4885

“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.