SCHEMBL233588

SCHEMBL233588

NCCC(O)c1cccc(C#CC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.37
PTGES O14684 2/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL233144 0.99 HAO1 (0.38) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL235715 0.99 HAO1 (0.38) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL233546 0.99 HAO1 (0.38) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL235958 0.95 PTGES (0.38) HAO1PTGESFFAR1
SCHEMBL2150831 0.89 HAO1 (0.37) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL16031974 0.89 HAO1 (0.40) HAO1PTGES
SCHEMBL15461601 0.87 PTGES (0.39) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL2150682 0.86 HAO1 (0.37) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL15461604 0.86 KCNH2 (0.40) HAO1PTGESFFAR1FFAR4KCNH2
SCHEMBL232740 0.85 KDM4E (0.32)

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US claimed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US claimed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US claimed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US claimed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US claimed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US claimed
US-11795136-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC. (US) 2023-10-24 US disclosed
US-20210171435-A1 Methods for the Treatment of Diabetic Retinopathy and other Ophthalmic Diseases ACUCELA INC. 2021-06-10 US disclosed
US-10730825-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC. (US) 2020-08-04 US disclosed
EP-2844636-B1 METHODS FOR THE TREATMENT OF PROLIFERATIVE DIABETIC RETINOPATHY ACUCELA INC (US) 2020-04-22 EP disclosed
US-9957224-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC (US) 2018-05-01 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
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
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
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 (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 HAO1 3561/4885PTGES 198/4885FFAR1 1035/4885
US-10730825-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 HAO1 454/4885PTGES 737/4885FFAR1 1630/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C HAO1 3561/4885PTGES 198/4885FFAR1 1035/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HAO1 3561/4885PTGES 198/4885FFAR1 1035/4885
US-11795136-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 HAO1 454/4885PTGES 737/4885FFAR1 1630/4885
US-20210171435-A1 Methods for the Treatment of Diabetic Retinopathy and other Ophthalmic Diseases ALDH1A2, ALDH1A3, RBP4 HAO1 454/4885PTGES 737/4885FFAR1 1630/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HAO1 3561/4885PTGES 198/4885FFAR1 1035/4885

“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.