SCHEMBL234109

SCHEMBL234109

CC(C)(C)OC(=O)NCCC(O)c1cccc(C#CCC2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HAO1 Q9UJM8 5/20 0.39
EPHX1 P07099 1/20 0.36
PTPN11 Q06124 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
P2RY6 Q15077 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL237238 0.87 DDB1 (0.40) DDB1CRBNHAO1EPHX1GPR88
SCHEMBL236453 0.86 EPHX1 (0.39) DDB1CRBNHAO1EPHX1GPR88
SCHEMBL234717 0.86 EPHX1 (0.39) DDB1CRBNHAO1EPHX1GPR88
SCHEMBL612632 0.85 DDB1 (0.43) DDB1CRBNPTPN11GPR88ADORA3
SCHEMBL235309 0.83 DDB1 (0.41) DDB1CRBNPTPN11GPR88ADORA3
SCHEMBL610513 0.83 PTGES (0.46) DDB1CRBNPTPN11GPR88ADORA3
SCHEMBL238012 0.82 PTGES (0.43) DDB1CRBNPTPN11GPR88ADORA3
SCHEMBL238038 0.82 DDB1 (0.37) DDB1CRBNEPHX1GPR88KDM4D
SCHEMBL237646 0.81 ADORA3 (0.47) DDB1CRBNGPR88ADORA3NPC1
SCHEMBL236213 0.81 DDB1 (0.40) DDB1CRBNPTPN11GPR88ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
US-8492589-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-07-23 US disclosed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 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 (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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885HAO1 3561/4885

“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.