SCHEMBL10021100

SCHEMBL10021100

CCCCC(O)C(C)(C)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KIF11 P52732 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
VDR P11473 1/20 0.33

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
SCHEMBL10021105 0.95 L3MBTL1 (0.38) TSHRL3MBTL1ESR1ESR2NPC1
SCHEMBL18660420 0.84 ALDH1A1 (0.40) ESR2MAPTCNR2KIF11
SCHEMBL13232168 0.83 CYP2D6 (0.39) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL317837 0.82 ESR1 (0.31) ESR1ESR2
SCHEMBL14865568 0.79 TSHR (0.39) TSHRL3MBTL1ESR1ESR2NPC1
SCHEMBL18660141 0.79 CSNK1E (0.44) CNR2
SCHEMBL13232167 0.78 EPHX1 (0.38) L3MBTL1NPC1RAB9ACNR2CNR1
SCHEMBL317660 0.77 GPR84 (0.35) MAPT
SCHEMBL13693153 0.77 KIF11 (0.35) KIF11
SCHEMBL11859819 0.74 TSHR (0.41) TSHRNPC1MAPTRAB9AKIF11

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 44 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-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 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
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US 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-8124648-B2 Therapeutic lactams ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-7507833-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-03-24 US disclosed
US-7482475-B2 Therapeutic lactams ALLERGAN, INC. (US) 2009-01-27 US disclosed
US-20090016981-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-01-15 US disclosed
US-7439372-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-10-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 TSHR 4505/4885L3MBTL1 4407/4885ESR1 4028/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 TSHR 2567/4885L3MBTL1 3994/4885ESR1 2855/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD TSHR 4505/4885L3MBTL1 4407/4885ESR1 4028/4885
US-20090016981-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 TSHR 4382/4885L3MBTL1 4299/4885ESR1 2259/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 TSHR 1819/4885L3MBTL1 4740/4885ESR1 2491/4885
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 TSHR 562/4885L3MBTL1 4593/4885ESR1 2727/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 TSHR 4382/4885L3MBTL1 4299/4885ESR1 2259/4885
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 TSHR 387/4885L3MBTL1 4531/4885ESR1 3268/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 TSHR 3467/4885L3MBTL1 3886/4885ESR1 3043/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 TSHR 2567/4885L3MBTL1 3994/4885ESR1 2855/4885

“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.