SCHEMBL6290285

SCHEMBL6290285

CCc1cc(N(C)CC(O)C(O)C(O)C(O)CO)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TOP1 P11387 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
AGTR1 P30556 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL6290851 0.83 S100B (0.44) POLBALDH1A1TOP1EGFRMEN1
SCHEMBL6284041 0.79 TDP1 (0.41) POLBALDH1A1TOP1EGFRMEN1
SCHEMBL6290250 0.78 EP300 (0.32) POLBTOP1EGFRMEN1KMT2A
SCHEMBL6286582 0.78
SCHEMBL6290815 0.77 ROCK2 (0.34) POLBALDH1A1MAPTEGFRMEN1
SCHEMBL6291004 0.75 ROCK2 (0.33) EGFR
SCHEMBL6287796 0.73 TLR8 (0.31)
SCHEMBL5699543 0.73 MAPT (0.39) POLBALDH1A1MAPT
SCHEMBL150472 0.70 PSMB5 (0.46) POLBALDH1A1MAPT
SCHEMBL5497355 0.69 S100B (0.44) POLBALDH1A1MAPTMEN1KMT2A

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 POLB 590/4885ALDH1A1 383/4885MAPT 1020/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 POLB 343/4885ALDH1A1 139/4885MAPT 805/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 POLB 208/4885ALDH1A1 361/4885MAPT 878/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 POLB 616/4885ALDH1A1 477/4885MAPT 1555/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 POLB 394/4885ALDH1A1 321/4885MAPT 540/4885

“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.