SCHEMBL5601808

SCHEMBL5601808

CCCCN(CCCC)CCOC(=O)NCCCCCCNC(=O)OCCN(CCCC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.64
EPHX1 P07099 1/20 0.53
EPHX2 P34913 2/20 0.49

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
SCHEMBL14984051 0.95 ACHE (0.66) ACHEEPHX1EPHX2
SCHEMBL13660364 0.88 ACHE (0.53) ACHEEPHX1EPHX2
SCHEMBL25477800 0.86 ACHE (0.58) ACHEEPHX1EPHX2
SCHEMBL9773856 0.86 ACHE (0.55) ACHE
SCHEMBL9774144 0.86 ACHE (0.62) ACHEEPHX1
SCHEMBL25477796 0.85 ACHE (0.49) ACHEEPHX1
SCHEMBL17549418 0.85 ACHE (0.54) ACHE
Hydrochloric Acid SCHEMBL9774200 0.85 ACHE (0.58) ACHEEPHX1EPHX2
Hydrochloric Acid SCHEMBL10457841 0.84 ACHE (0.60) ACHEEPHX1
SCHEMBL10639959 0.84 ACHE (0.60) ACHEEPHX1

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
US-9234067-B2 Material forming supramolecular structures, process and uses HENKEL AG & CO. KGAA (DE) 2016-01-12 US disclosed
EP-1792925-B1 Novel material forming supramolecular structures, process and uses HENKEL AG & CO KGAA (DE) 2015-10-07 EP disclosed
EP-1792925-B1 Novel material forming supramolecular structures, process and uses HENKEL AG & CO KGAA (DE) 2015-10-07 EP disclosed
US-20080200718-A1 Reacting (thio)isocyanate with amine, alcohol or thiol HENKEL KGAA (DE) 2008-08-21 US disclosed
US-20080200718-A1 Reacting (thio)isocyanate with amine, alcohol or thiol HENKEL KGAA (DE) 2008-08-21 US disclosed
EP-1792925-A1 Novel material forming supramolecular structures, process and uses National Starch and Chemical Investment Holding Corporation (US) 2007-06-06 EP disclosed
EP-1792925-A1 Novel material forming supramolecular structures, process and uses National Starch and Chemical Investment Holding Corporation (US) 2007-06-06 EP 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-20080200718-A1 Reacting (thio)isocyanate with amine, alcohol or thiol TST, CBR3, TBCB ACHE 3588/4885EPHX1 2249/4885EPHX2 725/4885

“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.