SCHEMBL235789

SCHEMBL235789

CC(CN)Oc1cccc(C#CC2(O)CCCC2C(N)COc2cccc(C#CC3CCCCC3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 4/20 0.36
GRM5 P41594 5/20 0.33
BACE1 P56817 1/20 0.33
PTGES O14684 2/20 0.33
GCK P35557 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL236004 0.80 HAO1 (0.47) HAO1GRM5BACE1PTGESACACB
SCHEMBL236010 0.80 HAO1 (0.47) HAO1GRM5BACE1PTGESACACB
SCHEMBL233845 0.80 HAO1 (0.38) HAO1GRM5BACE1PTGESGCK
SCHEMBL237227 0.79 HAO1 (0.46) HAO1BACE1PTGESACACB
SCHEMBL236783 0.72 GRM5 (0.42) GRM5
SCHEMBL236442 0.72 GRM5 (0.42) GRM5
SCHEMBL235395 0.72 GRM5 (0.42) GRM5
SCHEMBL3870384 0.71 GRM5 (0.43) GRM5ACACB
SCHEMBL3862174 0.71 HAO1 (0.43) HAO1GRM5BACE1PTGESACACB
SCHEMBL3860165 0.69 HAO1 (0.51) HAO1GRM5BACE1PTGESACACB

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 5 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-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 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 (3 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-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C HAO1 3561/4885GRM5 4439/4885BACE1 990/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HAO1 3561/4885GRM5 4439/4885BACE1 990/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HAO1 3561/4885GRM5 4439/4885BACE1 990/4885

“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.