SCHEMBL234556

SCHEMBL234556

CCCC(O)(C#Cc1cccc(CCCNC(=O)C(F)(F)F)c1)CCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PTGES O14684 1/20 0.40
EPHX1 P07099 1/20 0.39
FDFT1 P37268 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
OPRK1 P41145 1/20 0.37
MLYCD O95822 1/20 0.37

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
SCHEMBL2754757 0.97 EPHX1 (0.41) POLBPTGESEPHX1MLYCD
SCHEMBL237861 0.95 EPHX1 (0.41) POLBPTGESEPHX1FDFT1MTNR1A
SCHEMBL235708 0.94 PTGES (0.39) PTGESEPHX1MTNR1AMTNR1BOPRK1
SCHEMBL232707 0.92 POLB (0.43) POLBPTGESEPHX1FDFT1MTNR1A
SCHEMBL2754677 0.91 POLB (0.42) POLBPTGESFDFT1MTNR1AMTNR1B
SCHEMBL232845 0.88 MTNR1A (0.50) PTGESMTNR1AMTNR1B
SCHEMBL236104 0.87 POLB (0.47) POLBPTGESFDFT1MTNR1AMTNR1B
SCHEMBL236667 0.87 PTGES (0.38) PTGESMLYCD
SCHEMBL236546 0.87 MTNR1A (0.41) POLBPTGESFDFT1MTNR1AMTNR1B
SCHEMBL235608 0.86 POLB (0.40) POLBPTGESFDFT1MTNR1AMTNR1B

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 26 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-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-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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 (11 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT POLB 961/4885PTGES 527/4885EPHX1 2145/4885
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT POLB 961/4885PTGES 527/4885EPHX1 2145/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT POLB 961/4885PTGES 527/4885EPHX1 2145/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT POLB 961/4885PTGES 527/4885EPHX1 2145/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C POLB 2236/4885PTGES 198/4885EPHX1 2897/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT POLB 961/4885PTGES 527/4885EPHX1 2145/4885

“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.