SCHEMBL10002128

SCHEMBL10002128

CCC[N+](CC)(CC)CCCC[N+](CC)(CC)CCO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.50
SLC22A1 O15245 3/20 0.46
SLC22A2 O15244 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10002123 0.92 DNM1 (0.50) DNM1SLC22A1SLC22A2ALDH1A1TP53
SCHEMBL28465064 0.92 SLC22A1 (0.50) DNM1SLC22A1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL8694682 0.90 SLC22A1 (0.47) DNM1SLC22A1CYP3A4TSHR
SCHEMBL10002130 0.90 SLC22A1 (0.47) DNM1SLC22A1ALDH1A1CYP3A4TSHR
SCHEMBL20175886 0.88 SLC22A1 (0.50) DNM1SLC22A1SLC22A2
SCHEMBL9422187 0.88 DNM1 (0.68) DNM1SLC22A1SLC22A2ALDH1A1TP53
SCHEMBL8172964 0.88 DNM1 (0.68) DNM1SLC22A1SLC22A2ALDH1A1TP53
SCHEMBL474332 0.88 DNM1 (0.68) DNM1SLC22A1SLC22A2ALDH1A1TP53
SCHEMBL28122416 0.88 DNM1 (0.68) DNM1SLC22A1SLC22A2ALDH1A1TP53
Bromide SCHEMBL23573666 0.87 DNM1 (0.56) DNM1SLC22A1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053092-A1 Shale Hydration Inhibition Agents for Utilization in Water-based Drilling Fluids ST. FRANCIS XAVIER UNIVERSITY (CA) 2012-03-01 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-20120053092-A1 Shale Hydration Inhibition Agents for Utilization in Water-based Drilling Fluids AQP1, AQP3, SLC26A4 DNM1 283/4885SLC22A1 146/4885SLC22A2 209/4885

“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.