SCHEMBL2772279

SCHEMBL2772279

COC(=O)c1ccc(O)c(CO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA12 O43570 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
XDH P47989 2/20 0.65
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
KDM4E B2RXH2 3/20 0.57
TP53 P04637 2/20 0.57
ALOX15 P16050 2/20 0.57
ALOX12 P18054 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL8230251 0.87 CA1 (0.67) PKMCA1CA2CA12CA7
SCHEMBL7893012 0.86 CA12 (0.65) PKMCA1CA2CA12CA7
SCHEMBL12788047 0.85 CA1 (0.53) PKMCA1CA2CA12CA7
SCHEMBL14760286 0.84 CA1 (0.62) PKMCA1CA2CA12CA7
SCHEMBL7522545 0.84 CA1 (0.62) PKMCA1CA2CA12CA7
SCHEMBL2774960 0.84 CA1 (0.62) PKMCA1CA2CA12CA7
SCHEMBL18717022 0.83 ERN1 (0.63) PKMCA1CA2CA12CA7
SCHEMBL542559 0.83 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL5114266 0.83 CA12 (0.70) PKMCA1CA2CA12CA7
SCHEMBL30232935 0.83 CA1 (0.61) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113666906-A Synthesis method of 2-chloro-1- (2, 2-dimethyl-4H-benzo [1,3] dioxin-6-yl) ethanone 安徽有吉医药科技有限公司 2021-11-19 CN claimed
CN-113666906-A Synthesis method of 2-chloro-1- (2, 2-dimethyl-4H-benzo [1,3] dioxin-6-yl) ethanone 安徽有吉医药科技有限公司 2021-11-19 CN disclosed
CN-113666906-A Synthesis method of 2-chloro-1- (2, 2-dimethyl-4H-benzo [1,3] dioxin-6-yl) ethanone 安徽有吉医药科技有限公司 2021-11-19 CN disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-20150045387-A1 Bi-Aromatic And Tri-Aromatic Compounds As NADPH Oxidase 2 (Nox2) Inhibitors THE UNIVERSITY OF SURREY (GB) 2015-02-12 US disclosed
US-20150045387-A1 Bi-Aromatic And Tri-Aromatic Compounds As NADPH Oxidase 2 (Nox2) Inhibitors THE UNIVERSITY OF SURREY (GB) 2015-02-12 US disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
EP-1174412-B1 POLYMERIZABLE COMPOSITION SHOWING LIQUID-CRYSTAL PHASE AND OPTICALLY ANISOTROPIC FILM PREPARED FROM SAID COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2008-12-17 EP disclosed
US-6194450-B1 KERATINIZATION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-02-27 US disclosed
US-5849798-A Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-12-15 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 (4 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-20150045387-A1 Bi-Aromatic And Tri-Aromatic Compounds As NADPH Oxidase 2 (Nox2) Inhibitors NOX4, CYBB, NOX1 PKM 1507/4885CA1 3940/4885CA2 1750/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 PKM 4320/4885CA1 2829/4885CA2 2987/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PKM 3437/4885CA1 1922/4885CA2 3617/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PKM 3437/4885CA1 1922/4885CA2 3617/4885

“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.