SCHEMBL7650164

SCHEMBL7650164

C[N+](C)(C)CCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
SLC5A7 Q9GZV3 1/20 0.46
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CHRM5 P08912 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA4 P43681 3/20 0.41
HTR1A P08908 2/20 0.41

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 SCHEMBL28873867 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LMNA
Water SCHEMBL6891802 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL1674935 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1LMNA
Bromide SCHEMBL27927822 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
Water SCHEMBL5790238 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL4359628 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL10015967 0.88 MEN1 (0.50) MEN1KMT2ATSHRMAPK1LMNA
Triethylene Glycol SCHEMBL28637373 0.87 CYP3A4 (0.65) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL28136235 0.86 CYP3A4 (0.44) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL28256084 0.86 MEN1 (0.48) MEN1KMT2ATSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
EP-2804477-B1 PROCESS FOR PREPARING CHOLINE HYDROXIDE FROM TRIMETHYLAMINE AND ETHYLENE OXIDE DOW AGROSCIENCES LLC (US) 2018-06-27 EP disclosed
US-9353045-B2 Process for preparing choline hydroxide from trimethylamine and ethylene oxide DOW AGROSCIENCES LLC (US) 2016-05-31 US disclosed
WO-2013109705-A1 PROCESS FOR PREPARING CHOLINE HYDROXIDE FROM TRIMETHYLAMINE AND ETHYLENE OXIDE DOW AGROSCIENCES LLC (US) 2013-07-25 WO disclosed
US-20130190534-A1 PROCESS FOR PREPARING CHOLINE HYDROXIDE FROM TRIMETHYLAMINE AND ETHYLENE OXIDE DOW AGROSCIENCES LLC (US) 2013-07-25 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-20130190534-A1 PROCESS FOR PREPARING CHOLINE HYDROXIDE FROM TRIMETHYLAMINE AND ETHYLENE OXIDE CEPT1, BCHE, CHKB MEN1 542/4885KMT2A 453/4885TSHR 3006/4885

“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.