SCHEMBL10126415

SCHEMBL10126415

C#CCN(CC#C)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA9 Q16790 2/20 0.53
CA7 P43166 1/20 0.53
IGLV6-57 P01721 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13338103 0.88 CA12 (0.63) CA12CA1CA2CA4CA9
SCHEMBL13627686 0.78 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL17076687 0.77 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL121718 0.77 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL10430153 0.76 CA12 (0.52) CA12CA1CA2CA4CA9
SCHEMBL10126418 0.75 CA1 (0.51) CA12CA1CA2CA4CA9
SCHEMBL23960143 0.74 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL21755799 0.74 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL28417341 0.74 PYCR1 (0.60) CA12CA1CA2CA4CA9
SCHEMBL978318 0.73 CA12 (0.48) CA12CA1CA2CA4CA9

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
US-11117873-B2 Oxazine compound, composition, and cured product DIC CORPORATION (JP) 2021-09-14 US disclosed
US-20180362480-A1 OXAZINE COMPOUND, COMPOSITION, AND CURED PRODUCT DIC CORPORATION (JP) 2018-12-20 US disclosed
EP-3388461-A1 OXAZINE COMPOUND, COMPOSITION, AND CURED PRODUCT DIC Corporation (JP) 2018-10-17 EP disclosed
US-20130178600-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2013-07-11 US disclosed
US-8268936-B2 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-18 US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 US disclosed
US-8212083-B2 Use in PEGylation of biologicals; variety of terminal functional groups; made by polymerizing ethylene oxide on initiators such as N-(hydroxyalkyl) imines or N,N-bis(diphenyloxophosphino)-N-hydroxyalkylamines INTEZYNE TECHNOLOGIES, INC. (US) 2012-07-03 US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-20110224383-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR METAL-FREE CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2011-09-15 US disclosed
US-7893277-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2011-02-22 US disclosed
US-20110021718-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES (US) 2011-01-27 US disclosed
US-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES (US) 2010-11-04 US disclosed
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 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 (7 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-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA12 1126/4885CA1 2195/4885CA2 3187/4885
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA12 1126/4885CA1 2195/4885CA2 3187/4885
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof LNPEP, GNE, DNPEP CA12 701/4885CA1 793/4885CA2 2008/4885
US-20180362480-A1 OXAZINE COMPOUND, COMPOSITION, AND CURED PRODUCT KDM5A, WDR5, SMC4 CA12 553/4885CA1 377/4885CA2 1404/4885
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA12 1126/4885CA1 2195/4885CA2 3187/4885
US-11117873-B2 Oxazine compound, composition, and cured product KDM5A, WDR5, SMC4 CA12 553/4885CA1 377/4885CA2 1404/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 CA12 1126/4885CA1 2195/4885CA2 3187/4885

“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.