SCHEMBL996856

SCHEMBL996856

CC=C(C)C(=O)OC1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDK2 Q15119 9/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
ITGA4 P13612 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S100A4 P26447 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL996855 0.81 THRB (0.43) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL27603459 0.80 THRB (0.48) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL987799 0.74 THRB (0.55) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL3524770 0.74 ALDH1A1 (0.46) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL16137604 0.72 THRB (0.44) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL29200195 0.69 THRB (0.38) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL24355593 0.67 THRB (0.45) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL20497207 0.67 POLB (0.55) ALDH1A1MAPTPOLBGAAAPEX1
SCHEMBL406841 0.66 THRB (0.65) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL9610338 0.66 ELANE (0.37) THRBTDP1PDK2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9034464-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2015-05-19 US 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 2830/4885TDP1 3535/4885PDK2 4675/4885

“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.