SCHEMBL237238

SCHEMBL237238

CC(C)(C)OC(=O)NCCC(O)c1cccc(C#CC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PTGES O14684 3/20 0.38
EPHX1 P07099 1/20 0.38
HAO1 Q9UJM8 3/20 0.36
GPR88 Q9GZN0 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
NQO2 P16083 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GRM5 P41594 1/20 0.35
IDO1 P14902 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
DRD2 P14416 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
SCHEMBL234717 0.99 EPHX1 (0.39) DDB1CRBNPTGESEPHX1HAO1
SCHEMBL236453 0.99 EPHX1 (0.39) DDB1CRBNPTGESEPHX1HAO1
SCHEMBL238038 0.87 DDB1 (0.37) DDB1CRBNPTGESEPHX1GPR88
SCHEMBL234109 0.87 DDB1 (0.41) DDB1CRBNEPHX1HAO1GPR88
SCHEMBL610513 0.84 PTGES (0.46) DDB1CRBNPTGESGPR88NQO2
SCHEMBL28053003 0.84 PTGES (0.42) PTGESHAO1GRM5
SCHEMBL612632 0.83 DDB1 (0.43) DDB1CRBNPTGESGPR88NQO2
SCHEMBL237114 0.82 PTGES (0.37) PTGESHAO1NQO2
SCHEMBL237219 0.82 DDB1 (0.39) DDB1CRBNNQO2CTSSCTSK
SCHEMBL235309 0.81 DDB1 (0.41) DDB1CRBNPTGESGPR88NQO2

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 68 patents — showing the first 20. 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-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US 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
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 (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-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT DDB1 2582/4885CRBN 3571/4885PTGES 527/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885PTGES 198/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C DDB1 1727/4885CRBN 2258/4885PTGES 198/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT DDB1 2582/4885CRBN 3571/4885PTGES 527/4885

“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.