SCHEMBL822715

SCHEMBL822715

C=C(C)C(=O)OCCOCc1cc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(OC)c(COCCOC(=O)C(=C)C)c4)cc3)cc2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.34
FFAR1 O14842 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
APLNR P35414 1/20 0.33
PKM P14618 1/20 0.32
NAMPT P43490 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19564847 0.96 THRB (0.39) ALDH1A1KMT2ATHRBFFAR1GAA
SCHEMBL812217 0.95 ALDH1A1 (0.39) ALDH1A1KMT2ATHRBFFAR1GAA
SCHEMBL19564846 0.91 ALDH1A1 (0.41) ALDH1A1KMT2ATHRBFFAR1GAA
SCHEMBL812232 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AGAAPOLBMAPK1
SCHEMBL24756135 0.89 GAA (0.40) ALDH1A1KMT2AGAAPOLBMAPK1
SCHEMBL19564843 0.87 ALDH1A1 (0.34) ALDH1A1KMT2ATHRBFFAR1GAA
SCHEMBL16840307 0.87 ALDH1A1 (0.34) ALDH1A1KMT2AFFAR1GAAPOLB
SCHEMBL19569884 0.86 THRB (0.34) ALDH1A1KMT2ATHRBPOLBMAPK1
SCHEMBL19569871 0.85 ALDH1A1 (0.45) ALDH1A1KMT2APOLBMAPK1TSHR
SCHEMBL16840304 0.84 ALDH1A1 (0.33) ALDH1A1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320984-A1 OPTICAL COMPOSITION, CURED PRODUCT, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-11-09 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-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
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 921/4885KMT2A 280/4885THRB 2988/4885
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CENPE, AXIN2, CCNE2 ALDH1A1 1823/4885KMT2A 1605/4885THRB 4553/4885

“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.