SCHEMBL25834246

SCHEMBL25834246

CCOCC[N+](C)(C)CCOCC[N+](C)(C)CCOCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
DNM1 Q05193 3/20 0.32
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
ESR1 P03372 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL25834242 0.97 ALDH1A1 (0.39) ALDH1A1TSHRHTTDNM1
SCHEMBL17418953 0.97 ALDH1A1 (0.43) ALDH1A1TSHRHTTDNM1MLNR
Bromide SCHEMBL30869335 0.94 ALDH1A1 (0.41) ALDH1A1TSHRHTTDNM1MLNR
Iodide SCHEMBL30869362 0.94 ALDH1A1 (0.41) ALDH1A1TSHRHTTDNM1MLNR
Hydrochloric Acid SCHEMBL30869372 0.94 ALDH1A1 (0.41) ALDH1A1TSHRHTTDNM1MLNR
SCHEMBL25834249 0.90 HTT (0.39) ALDH1A1TSHRHTTDNM1MLNR
SCHEMBL4855702 0.88 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL3389299 0.88 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2867088 0.87 DNM1 (0.37) ALDH1A1TSHRHTTDNM1
SCHEMBL25834205 0.87 HTT (0.52) ALDH1A1HTTDNM1MLNRNR1I2

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-20230218523-A1 Ionic Liquid-Based Nanoemulsion Formulation for the Efficient Delivery of Hydrophilic and Hydrophobic Therapeutic Agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-07-13 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-20230218523-A1 Ionic Liquid-Based Nanoemulsion Formulation for the Efficient Delivery of Hydrophilic and Hydrophobic Therapeutic Agents HACD3, C9, HACD2 ALDH1A1 3671/4885TSHR 3859/4885HTT 657/4885

“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.