SCHEMBL3857749

SCHEMBL3857749

Nc1ccc(NCCCCC(CO)NCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.38
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CNR1 P21554 1/20 0.35
APP P05067 1/20 0.35
FYN P06241 1/20 0.31
MAPT P10636 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
FCGR3B O75015 1/20 0.30
FCGR1A P12314 1/20 0.30
FCGR2A P12318 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
SCHEMBL458848 0.89 APP (0.37) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5157922 0.85 PRSS1 (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL5428576 0.84 PRSS1 (0.41) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6228804 0.77 ALDH1A1 (0.55) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL855273 0.76 KCNH2 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6228247 0.76 ALDH1A1 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1719575 0.76 ALDH1A1 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL145850 0.75 ALDH1A1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL33766 0.75 APP (0.48) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL34107 0.75 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6

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-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP PRSS1 2054/4885F2 2385/4885PRSS2 1348/4885

“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.