SCHEMBL5486471

SCHEMBL5486471

Nc1nnc(N(CCO)CCO)s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
GLS O94925 2/20 0.35
F2 P00734 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
FBP1 P09467 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5174078 0.89 ALDH1A1 (0.51) ALDH1A1GAAGLSMAPK1POLB
SCHEMBL9032681 0.80 ALDH1A1 (0.46) ALDH1A1GAAGLSF2POLB
SCHEMBL11032530 0.75 ALDH1A1 (0.53) ALDH1A1GAAGLSMAPK1POLB
SCHEMBL10989679 0.71 ALDH1A1 (0.53) ALDH1A1GAAGLSF2POLB
SCHEMBL9506415 0.69 ALDH1A1 (0.52) ALDH1A1GAAGLSPOLBFBP1
SCHEMBL10994029 0.69 ALDH1A1 (1.00) ALDH1A1GAAGLSPOLB
SCHEMBL5154416 0.68 POLB (0.30) POLB
SCHEMBL10989482 0.67 ALDH1A1 (0.49) ALDH1A1GAAPOLBHTTHSD17B10
SCHEMBL10989208 0.66 ALDH1A1 (0.47) ALDH1A1GAAPOLBHSD17B10
SCHEMBL2517414 0.66

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 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 (1 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 ALDH1A1 782/4885GAA 3450/4885GLS 2521/4885

“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.