SCHEMBL1782008

SCHEMBL1782008

CCSCC(COCC1CO1)(COCC1CO1)COCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 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
SCHEMBL13067061 0.79 TSHR (0.63) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL9058588 0.79 TSHR (0.63) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL36668 0.79 TSHR (0.63) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL23734812 0.79 TSHR (0.63) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL36499 0.78 TSHR (0.67) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1402269 0.77 TSHR (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL22561787 0.77 TSHR (0.61) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL5319100 0.74 TSHR (0.57) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1781708 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL123922 0.73 TSHR (0.55) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697889-B2 Metal compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the resin MITSUI CHEMICALS, INC. (JP) 2014-04-15 US disclosed
US-8637633-B2 Polymerizable composition, and resin and optical part using the same MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
EP-2253626-B1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN MITSUI CHEMICALS INC (JP) 2013-05-29 EP disclosed
US-8426551-B2 Metal thietane compound, polymerizable composition containing the compound, resin and use of the resin MITSUI CHEMICALS, INC. (JP) 2013-04-23 US disclosed
US-8420718-B2 Composition, polymerizable composition, resin, optical component, and method for producing the composition MITSUI CHEMICALS, INC. (JP) 2013-04-16 US disclosed
US-8394891-B2 Additive for polymerizable composition, polymerizable composition containing the same and use of the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2013-03-12 US disclosed
US-8362280-B2 Thietane compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the polymerizable composition and the resin MITSUI CHEMICALS, INC. (JP) 2013-01-29 US disclosed
US-20130018169-A1 Metal Thietane Compound, Polymerizable Composition Containing the Compound, Resin and Use of the Resin MITSUI CHEMICALS, INC. (JP) 2013-01-17 US disclosed
US-8349996-B2 Compound, polymerizable composition, resin, and use of the composition and the resin MITSUI CHEMICALS, INC. (JP) 2013-01-08 US disclosed
US-20130005934-A1 Polymerizable Composition, and Resin and Optical Part Using the Same MITSUI CHEMICALS, INC (JP) 2013-01-03 US disclosed
US-20100298519-A1 POLYMERIZABLE COMPOSITION, AND RESIN AND OPTICAL PART USING THE SAME MITSUI CHEMICALS, INC. (JP) 2010-11-25 US disclosed
EP-2253626-A1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN Mitsui Chemicals, Inc. (JP) 2010-11-24 EP disclosed
US-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-11-11 US disclosed
US-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-09-23 US disclosed
EP-1482002-B1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2010-04-28 EP disclosed
US-20100063246-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS MITSUI CHEMICALS, INC. (JP) 2010-03-11 US disclosed
EP-2014700-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2009-01-14 EP disclosed
US-7132501-B2 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2006-11-07 US disclosed
US-20050215757-A1 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2005-09-29 US disclosed
EP-1482002-A1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2004-12-01 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 (3 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-20130018169-A1 Metal Thietane Compound, Polymerizable Composition Containing the Compound, Resin and Use of the Resin TERB1, TPR, TMSB10 TSHR 1656/4885MAPK1 3749/4885SMN1; SMN2 2377/4885
US-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN TERB1, TPR, TBXAS1 TSHR 1828/4885MAPK1 1730/4885SMN1; SMN2 903/4885
US-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION B2M, MSH2, PBRM1 TSHR 4777/4885MAPK1 2846/4885SMN1; SMN2 105/4885

“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.