SCHEMBL812232

SCHEMBL812232

C=C(C)C(=O)OCCCCOCc1cc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(OC)c(COCCCCOC(=O)C(=C)C)c4)cc3)cc2)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.35
ALOX5 P09917 1/20 0.34
PKM P14618 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MEN1 O00255 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL24756135 0.98 GAA (0.40) ALDH1A1KMT2AGAAPOLBAPEX1
SCHEMBL812217 0.94 ALDH1A1 (0.39) ALDH1A1KMT2AGAAPOLBTSHR
SCHEMBL822715 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AGAAPOLBTSHR
SCHEMBL19569871 0.88 ALDH1A1 (0.45) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL19569869 0.87 TSHR (0.33) ALDH1A1KMT2AGAAPOLBAPEX1
SCHEMBL19564847 0.86 THRB (0.39) ALDH1A1KMT2AGAAPOLBTSHR
SCHEMBL19569884 0.85 THRB (0.34) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL16822709 0.84 KMT2A (0.37) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL16843139 0.84 ALDH1A1 (0.37) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL19564846 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AGAAPOLBTSHR

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 13 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
EP-2862012-B1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT CANON KK (JP) 2016-09-14 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-20150175731-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2015-06-25 US disclosed
EP-2862012-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT Canon Kabushiki Kaisha (JP) 2015-04-22 EP disclosed
US-8829230-B2 Optical element compound, optical material, and optical element CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
WO-2014021355-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-02-06 WO 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 (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-20150175731-A1 (METH)ACRYLATE COMPOUND, OPTICAL COMPOSITION, MOLDED ARTICLE, AND OPTICAL ELEMENT SMYD2, ZYX, MMAB ALDH1A1 921/4885KMT2A 280/4885GAA 4660/4885
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 ALDH1A1 2097/4885KMT2A 154/4885GAA 2147/4885
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CENPE, AXIN2, CCNE2 ALDH1A1 1823/4885KMT2A 1605/4885GAA 977/4885

“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.