SCHEMBL3193136

SCHEMBL3193136

CC(C)(O)c1cccc(CCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.45
CYP4A11 Q02928 4/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP2D6 P10635 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.38
PPARA Q07869 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
ADRA2C P18825 2/20 0.36
SLC6A2 P23975 2/20 0.36

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
SCHEMBL18802736 0.91 HDAC1 (0.44) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL18802813 0.91 TAAR1 (0.43) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL18802748 0.89 LPL (0.45) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL18802810 0.89 LPL (0.45) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL1653903 0.87 CYP4F2 (0.46) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL18802729 0.87 TAAR1 (0.46) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL4948885 0.84 TAAR1 (0.50) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL2636462 0.81 PDK1 (0.44) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1
SCHEMBL9592544 0.81 CYP4F2 (0.49) CYP4F2CYP4A11TAAR1HDAC1HDAC8
SCHEMBL28827060 0.80 TDP1 (0.43) CYP4F2CYP4A11CYP1A2CYP2C19TAAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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

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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYP4F2 4478/4885CYP4A11 2316/4885CYP1A2 3048/4885
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP4F2 4617/4885CYP4A11 1189/4885CYP1A2 3683/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C CYP4F2 4617/4885CYP4A11 1189/4885CYP1A2 3683/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP4F2 4617/4885CYP4A11 1189/4885CYP1A2 3683/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C CYP4F2 4617/4885CYP4A11 1189/4885CYP1A2 3683/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYP4F2 4478/4885CYP4A11 2316/4885CYP1A2 3048/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT CYP4F2 4478/4885CYP4A11 2316/4885CYP1A2 3048/4885

“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.