SCHEMBL236187

SCHEMBL236187

COCCCC#Cc1cccc(C(CCNC(=O)O)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
ALOX5 P09917 5/20 0.37
EPHX2 P34913 5/20 0.37
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.34
CYP3A4 P08684 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 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
SCHEMBL612935 0.78 ADORA3 (0.41) ADORA3MEN1KMT2A
SCHEMBL3865432 0.77 KDM4E (0.45) HPGDMTNR1AMTNR1B
SCHEMBL3879268 0.76 BACE1 (0.35) ALDH1A1ALOX5EPHX2ACACBCYP3A4
SCHEMBL610995 0.74 KDM4E (0.44) HPGDMTNR1AMTNR1B
SCHEMBL3863963 0.74 FFAR1 (0.40)
SCHEMBL3868117 0.72 HTR2C (0.39) ALDH1A1ALOX5EPHX2KMT2ACYP3A4
SCHEMBL20141397 0.72 CNR1 (0.44) ALDH1A1MTNR1AMTNR1B
SCHEMBL236861 0.71 ALOX5 (0.37) ALOX5EPHX2ACACBMTNR1AMTNR1B
SCHEMBL235313 0.71 HTR2C (0.34) KMT2AACACB
SCHEMBL3864997 0.71 CHRNB4 (0.38) ACACB

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 ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ALDH1A1 605/4885HPGD 213/4885ALOX5 341/4885

“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.