SCHEMBL2769749

SCHEMBL2769749

CC1(C)C=C(C(=O)c2ccccc2)C=CC1(N=C=S)N=C=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SRD5A2 P31213 1/20 0.31
MAPK1 P28482 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
HPGDS O60760 1/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
MAPT P10636 2/20 0.30
PTGS1 P23219 2/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
PTGS2 P35354 2/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16830741 0.78 ALDH1A1 (0.45) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL27617520 0.74 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL2404185 0.65 ALDH1A1 (0.45) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL2164754 0.65 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL7192938 0.64 ALDH1A1 (0.43) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL2470211 0.63 ALDH1A1 (0.42) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL8624753 0.63 ALDH1A1 (0.38) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL5677233 0.62 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL8010079 0.62 ALDH1A1 (0.41) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL2900801 0.61 ALDH1A1 (0.37) ALDH1A1TDP1ELANEHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2223969-B1 RESIN COMPOSITION, TRANSPARENT MEMBER OBTAINED FROM THE RESIN COMPOSITION, AND USE OF THE SAME MITSUI CHEMICALS INC (JP) 2015-02-25 EP disclosed
US-8648130-B2 Resin composition, transparent member obtained from the resin composition, and use of the same MITSUI CHEMICALS, INC. (JP) 2014-02-11 US disclosed
US-8637633-B2 Polymerizable composition, and resin and optical part using the same MITSUI CHEMICALS, INC. (JP) 2014-01-28 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-20130005934-A1 Polymerizable Composition, and Resin and Optical Part Using the Same MITSUI CHEMICALS, INC (JP) 2013-01-03 US disclosed
EP-2014700-B1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT MITSUI CHEMICALS INC (JP) 2012-06-13 EP disclosed
US-20100298519-A1 POLYMERIZABLE COMPOSITION, AND RESIN AND OPTICAL PART USING THE SAME MITSUI CHEMICALS, INC. (JP) 2010-11-25 US 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
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-2223969-A1 RESIN COMPOSITION, TRANSPARENT MEMBER OBTAINED FROM THE RESIN COMPOSITION, AND USE OF THE SAME Mitsui Chemicals, Inc. (JP) 2010-09-01 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
EP-2014700-A1 POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT Mitsui Chemicals, Inc. (JP) 2009-01-14 EP disclosed
US-7354989-B2 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2008-04-08 US 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
US-20050124783-A1 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2005-06-09 US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 EP 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-20100286334-A1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND USE OF THE POLYMERIZABLE COMPOSITION B2M, MSH2, PBRM1 ALDH1A1 3728/4885HPGD 1849/4885RAB9A 4687/4885

“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.