SCHEMBL1402333

SCHEMBL1402333

C(OCC(COCC1CO1)SC(COCC1CO1)COCC1CO1)C1CO1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL23248792 0.83 TSHR (0.54) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL65567 0.78 ALDH1A1 (0.60) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL1780672 0.78 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL28226967 0.77 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL49463 0.74 ALDH1A1 (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL9541696 0.74 ALDH1A1 (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL30020 0.74
SCHEMBL13573127 0.74 ALDH1A1 (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL11779092 0.74 ALDH1A1 (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL86235 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 EP disclosed
EP-2982706-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-10 EP disclosed
EP-2292597-B1 METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2015-03-04 EP disclosed
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-2311845-B1 COMPOUND, POLYMERIZABLE COMPOSITION, RESIN, AND USE OF THE COMPOSITION AND THE RESIN MITSUI CHEMICALS INC (JP) 2013-09-25 EP 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-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-2230271-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-09-22 EP 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-2123695-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN Mitsui Chemicals, Inc. (JP) 2009-11-25 EP disclosed
EP-2036951-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS Mitsui Chemicals, Inc. (JP) 2009-03-18 EP 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 (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-20100240862-A1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN TERB1, TPR, TBXAS1 TSHR 1828/4885ALDH1A1 3357/4885MAPK1 1730/4885

“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.