SCHEMBL17213634

SCHEMBL17213634

C=CC(=O)OCCNC(=O)OC(COC(=O)C=C)COc1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.42
KDM4E B2RXH2 9/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20924709 0.94 HTT (0.42) HTTKMT2AGAAUSP2KDM4E
SCHEMBL17213635 0.93 HTT (0.44) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262817 0.89 HTT (0.41) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15263166 0.88 GAA (0.41) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262286 0.88 GAA (0.41) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262108 0.88 KDM4E (0.40) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15263080 0.88 HTT (0.40) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262684 0.87 GAA (0.41) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262729 0.87 USP2 (0.41) HTTKMT2AGAAUSP2KDM4E
SCHEMBL15262190 0.87 GAA (0.41) HTTKMT2AGAAUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9921473-B2 Aromatic glycol ethers as writing monomers in holographic photopolymer formulations COVESTRO DEUTSCHLAND AG (DE) 2018-03-20 US disclosed
US-9921473-B2 Aromatic glycol ethers as writing monomers in holographic photopolymer formulations COVESTRO DEUTSCHLAND AG (DE) 2018-03-20 US disclosed
US-20170045816-A1 AROMATIC GLYCOL ETHERS AS WRITING MONOMERS IN HOLOGRAPHIC PHOTOPOLYMER FORMULATIONS COVESTRO DEUTSCHLAND AG (DE) 2017-02-16 US disclosed
US-20170045816-A1 AROMATIC GLYCOL ETHERS AS WRITING MONOMERS IN HOLOGRAPHIC PHOTOPOLYMER FORMULATIONS COVESTRO DEUTSCHLAND AG (DE) 2017-02-16 US disclosed
WO-2015161969-A1 AROMATIC GLYCOL ETHERS AS WRITING MONOMERS IN HOLOGRAPHIC PHOTOPOLYMER FORMULATIONS BAYER MATERIAL SCIENCE AG (DE) 2015-10-29 WO 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 (1 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-20170045816-A1 AROMATIC GLYCOL ETHERS AS WRITING MONOMERS IN HOLOGRAPHIC PHOTOPOLYMER FORMULATIONS MARK3, KDM3A, MAP1LC3B HTT 416/4885KMT2A 363/4885GAA 1294/4885

“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.