SCHEMBL329014

SCHEMBL329014

[CH2]CCCCCOCC(=C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL8778730 0.98 CES2 (0.39) CES2
SCHEMBL304988 0.91
SCHEMBL871697 0.88 CES2 (0.44) CES2TSHRMEN1THRBHTT
SCHEMBL7256155 0.83 CES2 (0.39) CES2TSHR
SCHEMBL25424773 0.82 CES2 (0.63) CES2TSHRMEN1THRBHTT
SCHEMBL2790873 0.82 CES2 (0.42) CES2TSHRMEN1THRBHTT
SCHEMBL1636629 0.82 CES2 (0.63) CES2TSHRMEN1THRBHTT
SCHEMBL1635179 0.82 CES2 (0.63) CES2TSHRMEN1THRBHTT
SCHEMBL14939700 0.82 CES2 (0.63) CES2TSHRMEN1THRBHTT
SCHEMBL1633949 0.82 CES2 (0.63) CES2TSHRMEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463144-B2 Adhesive composition suitable for dental uses 3M INNOVATIVE PROPERTIES COMPANY 2016-10-11 US disclosed
US-8557893-B2 Substituted saccharide compounds and dental compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-15 US disclosed
US-20130224692-A1 ADHESIVE COMPOSITION SUITABLE FOR DENTAL USES 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-08-29 US disclosed
EP-2616476-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M Innovative Properties Company (US) 2013-07-24 EP disclosed
US-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-27 US disclosed
US-8404144-B2 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-26 US disclosed
WO-2012036838-A2 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-22 WO disclosed
EP-2407142-A1 Use of polymerizable bisphosphonic acids for the treatment of tooth surfaces that are not pretreated with phosphoric acid 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
EP-1968527-A4 DENTAL COMPOSITIONS WITH A WATER SCAVENGER 3M INNOVATIVE PROPERTIES CO (US) 2009-08-19 EP disclosed
US-20090075239-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2009-03-19 US disclosed
EP-1968527-A1 DENTAL COMPOSITIONS WITH A WATER SCAVENGER 3M Innovative Properties Company (US) 2008-09-17 EP disclosed
WO-2007079144-A1 DENTAL COMPOSITIONS WITH A WATER SCAVENGER 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-12 WO disclosed
EP-1578377-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M Innovative Properties Company (US) 2005-09-28 EP disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO 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-20130164709-A1 SUBSTITUTED SACCHARIDE COMPOUNDS AND DENTAL COMPOSITIONS SI, ACMSD, SORD CES2 444/4885TSHR 4249/4885MEN1 4087/4885

“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.