SCHEMBL10002124

SCHEMBL10002124

C[N+](C)(CCO)CC[N+](C)(C)CCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.57
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.53
SLC5A7 Q9GZV3 1/20 0.53
PSMD14 O00487 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
GRK2 P25098 1/20 0.34
DNMT1 P26358 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PPP1CA P62136 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
Hydrochloric Acid SCHEMBL16991100 0.96 CYP3A4 (0.59) DNM1MEN1LMNAKMT2ACYP3A4
Hydrochloric Acid SCHEMBL16991101 0.96 DNM1 (0.55) DNM1MEN1LMNAKMT2ACYP3A4
SCHEMBL187428 0.96
SCHEMBL10415439 0.96 DNM1 (0.60) DNM1MEN1LMNAKMT2ACYP3A4
Hydrochloric Acid SCHEMBL156326 0.92 CYP3A4 (0.62) DNM1MEN1LMNAKMT2ACYP3A4
Water SCHEMBL1040437 0.92 DNM1 (0.57) DNM1MEN1LMNAKMT2ACYP3A4
Bromide SCHEMBL2916839 0.92 MEN1 (0.62) DNM1MEN1LMNAKMT2ACYP3A4
Iodide SCHEMBL2911216 0.92 DNM1 (0.57) DNM1MEN1LMNAKMT2ACYP3A4
SCHEMBL10415438 0.92 DNM1 (0.57) DNM1MEN1LMNAKMT2ACYP3A4
Fluoride Ion SCHEMBL11797943 0.92 DNM1 (0.57) DNM1MEN1LMNAKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771282-B2 Composition for electrode of capacitive deionization apparatus, and electrode including same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-26 US disclosed
US-20150225266-A1 COMPOSITION FOR ELECTRODE OF CAPACITIVE DEIONIZATION APPARATUS, AND ELECTRODE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-08-13 US disclosed
US-8404146-B2 Polishing liquid and polishing method FUJIFILM CORPORATION (JP) 2013-03-26 US disclosed
US-20120053092-A1 Shale Hydration Inhibition Agents for Utilization in Water-based Drilling Fluids ST. FRANCIS XAVIER UNIVERSITY (CA) 2012-03-01 US disclosed
WO-2010040223-A1 SHALE HYDRATION INHIBITION AGENTS FOR UTILIZATION IN WATER-BASED DRILLING FLUIDS ST. FRANCIS XAVIER UNIVERSITY (CA) 2010-04-15 WO disclosed
US-20090215270-A1 Polishing liquid and polishing method FUJIFILM CORPORATION (JP) 2009-08-27 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 283/4885MEN1 2678/4885LMNA 3034/4885

“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.