SCHEMBL6658499

SCHEMBL6658499

CC(C)N(C(C)C)C1CCCCC1N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 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
SCHEMBL17426973 1.00 ADH1B (0.41) ADH1BADH1CADH1A
SCHEMBL17426952 1.00 ADH1B (0.41) ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL6657586 0.94 ADH1B (0.38) ADH1BADH1CADH1A
SCHEMBL3340519 0.82 THRB (0.41) ADH1BADH1CADH1A
SCHEMBL8989800 0.82 CA1 (0.39) ADH1BADH1CADH1A
SCHEMBL4417025 0.82 THRB (0.41) ADH1BADH1CADH1A
SCHEMBL7798717 0.82 CA1 (0.39) ADH1BADH1CADH1A
SCHEMBL25067372 0.82 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL15221572 0.78 ADH1A (0.48) ADH1BADH1CADH1A
Trifluoromethanesulfonic Acid SCHEMBL6657468 0.77 ADH1B (0.32) ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 ADH1B 1076/4885ADH1C 1270/4885ADH1A 753/4885

“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.