SCHEMBL823282

SCHEMBL823282

COc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(OC)c(C=O)c4)cc3)cc2)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.56
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL822590 0.93 ERN1 (0.50) ERN1TSHRPOLBMAPK1ALDH1A1
SCHEMBL4600339 0.89 ERN1 (0.70) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL4600135 0.81 ALDH1A1 (0.62) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL19792588 0.80 ERN1 (0.71) ERN1ALDH1A1KDM4EMAPTMEN1
SCHEMBL6098384 0.80 ALDH1A1 (0.63) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL4599426 0.80 ERN1 (0.54) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL695541 0.79 ERN1 (0.56) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL3252986 0.79 ERN1 (0.66) ERN1TSHRALDH1A1KDM4ETDP1
SCHEMBL20924569 0.78 TSHR (0.56) TSHRPOLBMAPK1ALDH1A1TDP1
SCHEMBL7092074 0.78 SMN1; SMN2 (0.61) ERN1TSHRPOLBMAPK1ALDH1A1

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 8 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-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 ERN1 1444/4885TSHR 3946/4885POLB 3865/4885
US-20110288330-A1 OPTICAL ELEMENT COMPOUND, OPTICAL MATERIAL, AND OPTICAL ELEMENT CENPE, AXIN2, CCNE2 ERN1 1622/4885TSHR 4463/4885POLB 923/4885

“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.