SCHEMBL16243764

SCHEMBL16243764

C=C(C)C(=O)OCCCCCCS(=O)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.34
APP P05067 1/20 0.33
EPHX2 P34913 1/20 0.33
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA2 P00918 1/20 0.31
EPHX1 P07099 1/20 0.31
ACHE P22303 3/20 0.30

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
SCHEMBL16243620 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243679 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17766339 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243719 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16243626 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12923429 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3396119 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15901663 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
Ammonia Solution, Strong SCHEMBL18139884 0.98 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL245212 0.98 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1

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
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-9720319-B2 Colored composition, cured film, color filter, method for manufacturing color filter, solid-state imaging element, image display device, and compound FUJIFILM CORPORATION (JP) 2017-08-01 US 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
US-20160216604-A1 COLORED COMPOSITION, CURED FILM, COLOR FILTER, METHOD FOR MANUFACTURING COLOR FILTER, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, AND COMPOUND FUJIFILM CORPORATION (JP) 2016-07-28 US disclosed
US-9177819-B2 Method for manufacturing silicon substrate having textured structure TOKUYAMA CORPORATION (JP) 2015-11-03 US disclosed
US-20140349485-A1 METHOD FOR MANUFACTURING SILICON SUBSTRATE HAVING TEXTURED STRUCTURE TOKUYAMA CORPORATION a corporation 2014-11-27 US 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 TSHR 3424/4885POLB 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.