SCHEMBL4178362

SCHEMBL4178362

NC(=O)OCCc1cccc(C#CCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR1 O14842 2/20 0.37
EGFR P00533 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
TYR P14679 1/20 0.34
ALOX5 P09917 1/20 0.34
ASIC3 Q9UHC3 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
SCHEMBL232937 0.79 HTR2C (0.47) HTR2CHTR2BHRH3FFAR1EGFR
SCHEMBL29096823 0.77 LMNA (0.46) LMNAFFAR1TYRALOX5
SCHEMBL613990 0.77 CYP4F2 (0.39) HTR2CHTR2BCYP4F2CYP4A11EGFR
SCHEMBL3865719 0.75 HTR2C (0.42) HTR2CHTR2BHRH3FFAR1EGFR
SCHEMBL3839194 0.75 L3MBTL1 (0.40) LMNACYP4F2CYP4A11FFAR1
SCHEMBL235456 0.75 HTR2C (0.52) HTR2CHTR2BCYP4F2CYP4A11HRH3
SCHEMBL237494 0.75 HTR2C (0.38) HTR2CHTR2BHRH3EGFRCHRNB4
SCHEMBL27971560 0.74 HRH3 (0.45) HRH3FFAR1TYRALOX5
SCHEMBL2180350 0.74 HTR2C (0.51) HTR2CHTR2BHRH3EGFRCHRNB4
SCHEMBL5382045 0.72 PPARG (0.43) HTR2CHTR2BCYP4F2CYP4A11HRH3

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 13 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 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 (6 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 LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C LMNA 183/4885HTR2C 3284/4885HTR2B 2548/4885

“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.