SCHEMBL6207044

SCHEMBL6207044

CCCCCC(O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
PDE5A O76074 1/20 0.42
PTGER2 P43116 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL12420337 0.98 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PDE5A
SCHEMBL14717561 0.98 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PDE5A
SCHEMBL2084176 0.98 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2PDE5A
SCHEMBL1773587 0.94 HRH3 (0.46) S1PR2S1PR1S1PR3LPAR2PDE5A
SCHEMBL540784 0.87 ALDH1A1 (0.42) HRH3SLC6A4CA2ALDH1A1MAPT
SCHEMBL14139270 0.87 PDE5A (0.41) S1PR2S1PR1S1PR3LPAR2PDE5A
SCHEMBL9121212 0.83 TAAR1 (0.52) CHRM2ADRA2BADRA2CCHRM3SLC6A4
SCHEMBL13232166 0.83 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL23588163 0.82 AOC3 (0.50) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL10457370 0.82 HIF1A (0.52) S1PR2S1PR1S1PR3LPAR2CHRM2

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-20150274658-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. (US) 2015-10-01 US disclosed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US disclosed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed
US-8278347-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-10-02 US disclosed
US-8263593-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-09-11 US disclosed
US-7439372-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-10-21 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. 2008-03-06 US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 US disclosed
US-20080039505-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. 2008-02-14 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 EP 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 (8 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-20150274658-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD S1PR2 4422/4885S1PR1 4395/4885S1PR3 4353/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 S1PR2 1299/4885S1PR1 1617/4885S1PR3 2278/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD S1PR2 4422/4885S1PR1 4395/4885S1PR3 4353/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 S1PR2 1266/4885S1PR1 1608/4885S1PR3 1108/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 S1PR2 484/4885S1PR1 1062/4885S1PR3 540/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 S1PR2 2140/4885S1PR1 2427/4885S1PR3 2170/4885
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 S1PR2 1568/4885S1PR1 2380/4885S1PR3 1289/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 S1PR2 392/4885S1PR1 555/4885S1PR3 409/4885

“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.