SCHEMBL6287761

SCHEMBL6287761

Nc1ccc(NCC(O)C(O)C(O)C(O)CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
NR4A1 P22736 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
SCHEMBL5155005 0.84 MAPT (0.43) KDM4ELMNAL3MBTL1TDP1MAPT
SCHEMBL10374108 0.83 MAPT (0.49) KDM4ELMNAL3MBTL1TDP1MAPT
SCHEMBL2295995 0.83 MAPT (0.49) KDM4ELMNAL3MBTL1TDP1MAPT
Hydrochloric Acid SCHEMBL5426909 0.82 MAPT (0.41) KDM4ELMNAL3MBTL1TDP1MAPT
SCHEMBL33651 0.81 MAPT (0.41) L3MBTL1MAPTMAPK1MEN1KMT2A
SCHEMBL10675230 0.81 MAPT (0.50) KDM4ELMNAL3MBTL1TDP1MAPT
SCHEMBL10678167 0.81 MAPT (0.55) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL11733434 0.80 FNTA (0.49) KDM4ELMNATDP1MAPTMAPK1
SCHEMBL6290916 0.79 KDM4E (0.36) KDM4ELMNAL3MBTL1TDP1MAPT
SCHEMBL6282270 0.79 TDP1 (0.43) KDM4ELMNAL3MBTL1TDP1MAPT

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 KDM4E 1731/4885LMNA 823/4885L3MBTL1 4798/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 KDM4E 1488/4885LMNA 712/4885L3MBTL1 4813/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 KDM4E 2464/4885LMNA 550/4885L3MBTL1 4814/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 KDM4E 1809/4885LMNA 560/4885L3MBTL1 4676/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 KDM4E 2568/4885LMNA 865/4885L3MBTL1 4833/4885

“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.