Ether

Ether

SCHEMBL6535226

C=C(C)COCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COCC(=C)C)cc2)cc1.CCOCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
HIF1A Q16665 1/20 0.51
AR P10275 2/20 0.50
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL15348 0.95 HTT (0.56) HTTHIF1AARKMT2AMAPT
SCHEMBL22193643 0.88 HTT (0.52) HTTHIF1AARKMT2AMAPT
SCHEMBL9248709 0.86 HTT (0.61) HTTHIF1AARKMT2AMAPT
SCHEMBL5492054 0.86 HTT (0.43) HTTHIF1AARKMT2AMAPT
SCHEMBL5187575 0.84 HTT (0.46) HTTHIF1AARKMT2AMAPT
SCHEMBL15677159 0.84 KMT2A (0.60) HTTHIF1AARKMT2AMAPT
SCHEMBL7907428 0.83 AR (0.44) HTTHIF1AARKMT2AMAPT
SCHEMBL10396172 0.81 MAPT (0.42) HTTHIF1AARKMT2AMAPT
SCHEMBL12031009 0.80 HTT (0.65) HTTHIF1AARKMT2AMAPT
SCHEMBL4625642 0.80 HTT (0.54) HTTHIF1AARKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105063-A4 ADHESIVE COMPOSITIONS FOR THE HARD TISSUES OF THE HUMAN BODY BIOMAT SCIENCES INC (US) 2004-12-22 EP disclosed
US-6664245-B2 Bioadhesive; ionomer BIOMAT SCIENCES, INC. 2003-12-16 US disclosed
US-6645952-B2 An ethylenically unsaturated monophosphate such as pentaerythritol trimethyl ether monophosphate acid ether; etching a tooth surface; sequentially applying the above compound and a 2-hydroxyethyl methacrylate in multiple layers BIOMAT SCIENCES, INC. 2003-11-11 US disclosed
US-6605651-B1 In situ microwave hardening of methacrylate compound or polymer, filler, coupling agent, initiator and plasticizer BIOMAT SCIENCES, INC. 2003-08-12 US disclosed
US-20030118523-A1 Adhesive compositions for hard tissues BIOMAT SCIENCES, INC. 2003-06-26 US disclosed
US-20030069326-A1 Curing method and material compositions having dental and other applications BIOMAT SCIENCES, INC. 2003-04-10 US disclosed
US-20020015682-A1 Adhesive compositions for hard tissues BIOMAT SCIENCES INC. 2002-02-07 US disclosed
EP-1105063-A1 ADHESIVE COMPOSITIONS FOR THE HARD TISSUES OF THE HUMAN BODY Biomat Sciences, Inc. (US) 2001-06-13 EP disclosed
WO-2000010478-A1 ADHESIVE COMPOSITIONS FOR THE HARD TISSUES OF THE HUMAN BODY BIOMAT SCIENCES, INC. (US) 2000-03-02 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 (2 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-20020015682-A1 Adhesive compositions for hard tissues COL2A1, COL1A1, ITGA1 HTT 3235/4885HIF1A 2858/4885AR 2004/4885
US-20030118523-A1 Adhesive compositions for hard tissues COL2A1, COL1A1, ITGA1 HTT 3235/4885HIF1A 2858/4885AR 2004/4885

“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.