SCHEMBL997591

SCHEMBL997591

C=C(C)C(=O)OCCOCCOCc1ccccc1COCCOCCOC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL488918 0.86 THRB (0.53) THRBPOLBAPEX1HTTTDP1
SCHEMBL13627799 0.85 MAOB (0.49) THRBPOLBHTTTSHRSMN1; SMN2
SCHEMBL316845 0.84 THRB (0.54) THRBPOLBAPEX1HTTTDP1
SCHEMBL17036774 0.83 ALDH1A1 (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL4202389 0.83 TSHR (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL29577269 0.83 TSHR (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL7563917 0.81 THRB (0.59) THRBPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL28158161 0.81 THRB (0.51) THRBPOLBAPEX1HTTTDP1
Phthalic Acid SCHEMBL5590803 0.81 THRB (0.54) THRBPOLBAPEX1HTTTDP1
Phthalic Acid SCHEMBL477948 0.81 THRB (0.54) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738188-B1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2019-05-22 EP disclosed
US-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
US-20170209345-A1 DENTAL PROSTHESIS MITSUI CHEMICALS, INC. (JP) 2017-07-27 US disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
EP-2599799-B1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
US-9238769-B2 Monolayer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2016-01-19 US disclosed
US-9034464-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2015-05-19 US disclosed
US-20140154451-A1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME MITSUI CHEMICALS, INC. 2014-06-05 US disclosed
EP-2738188-A1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2014-06-04 EP disclosed
US-8617711-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2013-12-31 US disclosed
US-20130156959-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME MITSUI CHEMICALS, INC. (JP) 2013-06-20 US disclosed
EP-2599799-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2013-06-05 EP disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed
US-20090191373-A1 Single Layer Film and Hydrophilic Material Comprising the Same MITSUI CHEMICALS ,INC. 2009-07-30 US disclosed
EP-1955782-A1 SINGLE LAYER FILM AND HYDROPHILIC MATERIAL COMPOSED OF SAME Mitsui Chemicals, Inc. (JP) 2008-08-13 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-20170209345-A1 DENTAL PROSTHESIS CAD, OR10J3, PSMA3 THRB 2830/4885POLB 2794/4885APEX1 1292/4885

“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.