SCHEMBL5944784

SCHEMBL5944784

CCCN(CCC)c1ccc[n+]([O-])c1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.35
TLR8 Q9NR97 1/20 0.35
ALDH3A1 P30838 3/20 0.31
ALDH1A3 P47895 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HCAR3 P49019 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL5945040 0.86 ALDH1A1 (0.35) TLR8ALDH1A1
SCHEMBL5944760 0.76
SCHEMBL5944667 0.76 CHEK1 (0.39) TLR8ALDH1A1
SCHEMBL5944719 0.71 KMT2A (0.38)
SCHEMBL7150417 0.70 TP53 (0.41) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL2896836 0.70 DRD3 (0.38) CRHR1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL5944865 0.69 HTR1A (0.38)
SCHEMBL10620529 0.66 ESR1 (0.47) CRHR1ALDH3A1ALDH1A3ALDH1A1ESR1
SCHEMBL11314107 0.65
SCHEMBL23349106 0.65 TSHR (0.39) CRHR1ALDH3A1ALDH1A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KRTCAP2, NOX5 CRHR1 4814/4885TLR8 4224/4885ALDH3A1 821/4885

“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.