SCHEMBL20091201

SCHEMBL20091201

CCCCCCCCCCCCNCCN(C)CCN(C)CCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
EPHX1 P07099 2/20 0.45
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
S1PR2 O95136 6/20 0.41
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 6/20 0.41
S1PR4 O95977 5/20 0.41
S1PR5 Q9H228 2/20 0.41
DNM1 Q05193 3/20 0.39
KDM5A P29375 3/20 0.38
KDM4C Q9H3R0 3/20 0.38
PHF8 Q9UPP1 2/20 0.38

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
SCHEMBL20091176 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL20091179 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL20091178 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL20091205 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL20091177 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL20091166 1.00 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL21498012 0.91 ALDH1A1 (0.59) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL18073416 0.91 DNM1 (0.48) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL26144828 0.89 ALDH1A1 (0.62) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL25868228 0.89 TSHR (0.48) ALDH1A1TSHREPHX1ADH1BADH1C

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-10301254-B2 Substituted polycationic multi-quaternary ammonium salts as antimicrobial agents Temple University—Of the Commonwealth System of Higher Education (US) 2019-05-28 US disclosed
US-20180111893-A1 POLYCATIONIC AMPHIPHILES AND POLYMERS THEREOF AS ANTIMICROBIAL AGENTS AND METHODS USING SAME Temple University--of the Commonwealth System of Higher Education 2018-04-26 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 (2 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-20180111893-A1 POLYCATIONIC AMPHIPHILES AND POLYMERS THEREOF AS ANTIMICROBIAL AGENTS AND METHODS USING SAME PHOSPHO1, PCNA, PUF60 ALDH1A1 4368/4885TSHR 4022/4885EPHX1 1987/4885
US-10301254-B2 Substituted polycationic multi-quaternary ammonium salts as antimicrobial agents F7, ABCB11, ARG1 ALDH1A1 3667/4885TSHR 4104/4885EPHX1 2859/4885

“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.