SCHEMBL18545337

SCHEMBL18545337

NCCNCCNCCNCCN(CC(O)COCCCS(=O)(=O)O)CC(O)COCCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL18545347 0.84 USP2 (0.35) HTTAPPCYP1A2CYP3A4CYP2C19
SCHEMBL18545280 0.83 APP (0.38) HTTAPPCYP1A2CYP3A4CYP2C19
SCHEMBL15219000 0.82
SCHEMBL18545277 0.81 USP2 (0.37) HTTCYP1A2CYP3A4CYP2C19
SCHEMBL15218976 0.81 CYP3A4 (0.38) HTTCYP3A4
SCHEMBL15218977 0.80 CYP3A4 (0.41) HTTCYP1A2CYP3A4CYP2C19
SCHEMBL23837976 0.80 APP (0.40) HTTAPPCYP1A2CYP3A4CYP2C19
SCHEMBL16298550 0.80 HTT (0.37) HTTCYP2C19
SCHEMBL18545357 0.79 MMP9 (0.40) HTTCYP1A2CYP3A4CYP2C19
SCHEMBL23837963 0.78 GABRR1 (0.32) HTTAPP

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-9944534-B2 Reducing aluminosilicate scale in the Bayer process ECOLAB USA INC. (US) 2018-04-17 US disclosed
US-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process NALCO COMPANY (US) 2017-02-23 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-20170050861-A1 Reducing Aluminosilicate Scale in the Bayer Process DSP, SOST, SORD HTT 2952/4885APP 3453/4885CYP1A2 4611/4885

“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.