SCHEMBL6284037

SCHEMBL6284037

COc1cc(NCC(O)C(O)C(O)C(O)CO)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 6/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 2/20 0.34
HDAC1 Q13547 2/20 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
SCHEMBL6290821 0.87 KDM4E (0.35) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL6282270 0.82 TDP1 (0.43) ALDH1A1CYP3A4TDP1TSHRKDM4E
SCHEMBL4513573 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL5182524 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL6286875 0.80 KDM4E (0.38) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL6290916 0.79 KDM4E (0.36) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL6290382 0.78 KDM4E (0.37) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL6287377 0.78 KDM4E (0.37) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL10678167 0.78 MAPT (0.55) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL864426 0.76 MAPT (0.47) ALDH1A1CYP3A4TDP1KDM4EMAPT

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 ALDH1A1 383/4885CYP3A4 364/4885TDP1 1248/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 ALDH1A1 139/4885CYP3A4 531/4885TDP1 1427/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 ALDH1A1 361/4885CYP3A4 577/4885TDP1 623/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 ALDH1A1 477/4885CYP3A4 1112/4885TDP1 2290/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 ALDH1A1 321/4885CYP3A4 562/4885TDP1 943/4885

“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.