SCHEMBL3132587

SCHEMBL3132587

C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL10405560 1.00 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL472550 1.00 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL181998 0.95 THRB (0.37) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18558149 0.92 THRB (0.35) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21547311 0.92 THRB (0.35) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4094910 0.92 TSHR (0.43) ACHETHRBTSHRHRH4HRH3
SCHEMBL17075532 0.92 THRB (0.40) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28572695 0.92 THRB (0.40) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20460074 0.91 THRB (0.34) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22663545 0.91 THRB (0.34) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951894-B1 Storage stable polymerizable compositions DENTSPLY DETREY GMBH (DE) 2010-07-14 EP disclosed
US-6998111-B2 Storage stable polymerizable compositions DENTAPLY DETREY GMBH (DE) 2006-02-14 US disclosed
US-20020176826-A1 STORAGE STABLE POLYMERIZABLE COMPOSITIONS KLEE DR JOACHIM E (DE) 2002-11-28 US disclosed
US-5688883-A CATALYTIC POLYMERIZATION OF ACRYLATES FOR DENTAL SEALS OR ADHESIVES DENTSPLY GMBH (DE) 1997-11-18 US disclosed
EP-0732098-A2 Polymerizable composition DENTSPLY DETREY GmbH (DE) 1996-09-18 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-20020176826-A1 STORAGE STABLE POLYMERIZABLE COMPOSITIONS H1-0, GPX4, H1-10 ACHE 2226/4885CHRNB2 3630/4885CHRNB4 3673/4885

“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.