SCHEMBL811463

SCHEMBL811463

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MMP2 P08253 3/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 2/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP12 P39900 1/20 0.51
MMP14 P50281 1/20 0.51
RECQL P46063 1/20 0.50
GAA P10253 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
NR1I2 O75469 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 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
SCHEMBL811899 1.00 ALDH1A1 (0.55) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL34118 0.96 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL2637714 0.96 ALDH1A1 (0.58) ALDH1A1MMP2MMP9MMP13MMP1
Ethylene Glycol SCHEMBL8592846 0.94 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL822501 0.93 ALDH1A1 (0.51) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL15890449 0.91 ALDH1A1 (0.53) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL14227008 0.89 GAA (0.58) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL16711543 0.89 ALDH1A1 (0.51) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL811796 0.87 CA2 (0.54) ALDH1A1MMP2MMP9MMP13MMP1
SCHEMBL811362 0.87 CA2 (0.54) ALDH1A1MMP2MMP9MMP13MMP1

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-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-RE47000-E1 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2018-08-21 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-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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 ALDH1A1 2097/4885MMP2 4213/4885MMP9 3557/4885
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.