SCHEMBL10021110

SCHEMBL10021110

Cc1ccc(C(O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
CHRNA7 P36544 1/20 0.41
ACHE P22303 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AOC3 Q16853 1/20 0.36
ALOX5 P09917 1/20 0.35
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HCRTR2 O43614 1/20 0.33
MLKL Q8NB16 1/20 0.33
HPGD P15428 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
SCHEMBL11532680 0.88 TEAD4 (0.45) PGRACHETDP1ALDH1A1LMNA
SCHEMBL13232164 0.80 PGR (0.42) PGRALDH1A1KDM4EAOC3LMNA
SCHEMBL11834697 0.80 PGR (0.42) PGRTDP1TSHRALDH1A1KDM4E
SCHEMBL2452815 0.80 ESR1 (0.50) PGRTDP1TSHRALDH1A1KDM4E
SCHEMBL11302427 0.78 HPGD (0.44) CHRNA7ACHETDP1TSHRALDH1A1
SCHEMBL1154594 0.78 AOC3 (0.47) PGRTDP1TSHRAOC3LMNA
SCHEMBL3051159 0.78 CYP1A2 (0.42) PGRALDH1A1KDM4EAOC3ALOX5
SCHEMBL307896 0.78 CHRNA7 (0.39) CHRNA7ACHETDP1ALOX5CES2
SCHEMBL1932757 0.78 CHRNA7 (0.39) CHRNA7ACHETDP1ALOX5CES2
SCHEMBL12791298 0.78 AOC3 (0.47) PGRTDP1TSHRAOC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
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
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
US-8278347-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-10-02 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
WO-2008100809-A1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2008-08-21 WO 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 PGR 3874/4885CHRNA7 4046/4885ACHE 58/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PGR 312/4885CHRNA7 3349/4885ACHE 1913/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD PGR 3874/4885CHRNA7 4046/4885ACHE 58/4885
US-20090016981-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 PGR 847/4885CHRNA7 3947/4885ACHE 38/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 PGR 327/4885CHRNA7 1256/4885ACHE 1313/4885
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 PGR 756/4885CHRNA7 383/4885ACHE 292/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 PGR 847/4885CHRNA7 3947/4885ACHE 38/4885
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 PGR 996/4885CHRNA7 865/4885ACHE 1030/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 PGR 1467/4885CHRNA7 3747/4885ACHE 812/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PGR 312/4885CHRNA7 3349/4885ACHE 1913/4885

“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.