SCHEMBL822501

SCHEMBL822501

O=S(=O)(c1ccc(-c2ccc(OCCCO)cc2)cc1)c1ccc(-c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MMP2 P08253 3/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL9421509 0.94 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL811899 0.93 ALDH1A1 (0.55) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL811463 0.93 ALDH1A1 (0.55) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL9421436 0.89 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL2637714 0.89 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL34118 0.89 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL26290169 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL13900189 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
Ethylene Glycol SCHEMBL8592846 0.87 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL2719251 0.84 ALDH1A1 (0.56) ALDH1A1GAAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47556-E1 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2019-08-06 US disclosed
EP-2390684-B1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KK (JP) 2019-04-24 EP disclosed
US-9290597-B2 (Meth)acrylate compound, optical composition, molded article, and optical element CANON KABUSHIKI KAISHA (JP) 2016-03-22 US disclosed
US-9290597-B2 (Meth)acrylate compound, optical composition, molded article, and optical element CANON KABUSHIKI KAISHA (JP) 2016-03-22 US disclosed
US-20150175731-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-06-25 US disclosed
US-20150175731-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-06-25 US disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20140031582-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140031582-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-8569541-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-8569541-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
EP-2390684-A2 Optical element compound, optical material, and optical element Canon Kabushiki Kaisha (JP) 2011-11-30 EP disclosed
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-11-24 US disclosed
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2011-11-24 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 (2 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-20150175731-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT SMYD2, ZYX, MMAB ALDH1A1 921/4885MMP2 4635/4885MMP9 3254/4885
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CENPE, AXIN2, CCNE2 ALDH1A1 1823/4885MMP2 4170/4885MMP9 1044/4885

“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.