SCHEMBL5154440

SCHEMBL5154440

Cc1nc(NCCCO)oc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.39
TLR7 Q9NYK1 4/20 0.39
NUDT1 P36639 1/20 0.38
ELANE P08246 4/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
RAD52 P43351 1/20 0.33
KCNH3 Q9ULD8 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
SCHEMBL5154411 0.89 MAPK1 (0.38) TLR8TLR7POLBALDH1A1GAA
SCHEMBL5150661 0.73 P2RX3 (0.32)
SCHEMBL5154157 0.72 TLR8 (0.39) TLR8TLR7NUDT1POLBALDH1A1
SCHEMBL5175231 0.69 NUDT1 (0.38) NUDT1POLBALDH1A1RAD52KCNH3
SCHEMBL5150994 0.67 NUDT1 (0.42) NUDT1POLBALDH1A1CDK1CDK2
SCHEMBL11540098 0.66 ELANE (0.46) TLR8TLR7ELANE
SCHEMBL5154138 0.66 TLR8 (0.39) TLR8TLR7NUDT1POLBCDK1
SCHEMBL5157363 0.66 POLB (0.41) TLR8TLR7NUDT1POLBALDH1A1
SCHEMBL5150591 0.64
SCHEMBL30583373 0.63 POLB (0.51) ELANEPOLBALDH1A1GAARAD52

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 6 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
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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 TLR8 4793/4885TLR7 4816/4885NUDT1 2854/4885

“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.