SCHEMBL6282270

SCHEMBL6282270

Cc1cc(NCC(O)C(O)C(O)C(O)CO)ccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.35
TSHR P16473 1/20 0.34
SKP2 Q13309 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL864426 0.85 MAPT (0.47) TDP1ALDH1A1CYP3A4MAPTMAPK1
SCHEMBL10254545 0.85 MAPT (0.47) TDP1ALDH1A1CYP3A4MAPTMAPK1
SCHEMBL3858519 0.83 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4THRBALOX15
SCHEMBL9651830 0.83 MAPT (0.50) TDP1ALDH1A1CYP3A4ALOX15MAPT
SCHEMBL6286875 0.83 KDM4E (0.38) TDP1THRBMAPTMAPK1LMNA
SCHEMBL6290916 0.82 KDM4E (0.36) TDP1MAPTMAPK1LMNAMEN1
Hydrochloric Acid SCHEMBL3857846 0.82 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4THRBALOX15
SCHEMBL6287377 0.82 KDM4E (0.37) TDP1MAPTMAPK1LMNAMEN1
SCHEMBL6284037 0.82 ALDH1A1 (0.40) TDP1ALDH1A1CYP3A4MAPTMAPK1
SCHEMBL6290382 0.82 KDM4E (0.37) TDP1MAPTMAPK1LMNAMEN1

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

“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.