SCHEMBL1403716

SCHEMBL1403716

CC(=O)OCc1c[c]cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.41
CA2 P00918 1/20 0.38
S1PR4 O95977 1/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
IDH1 O75874 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 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
SCHEMBL1421997 0.83 TNKS2 (0.36) ALDH1A1CA2HPGDUSP2SMN1; SMN2
SCHEMBL13034131 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2S1PR4HPGD
SCHEMBL760923 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4S1PR4HPGDUSP2
SCHEMBL2659547 0.75 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDHCAR2MAOA
SCHEMBL12014019 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4S1PR4IDH1HTT
SCHEMBL2795883 0.75 IDO1 (0.35) ALDH1A1CYP3A4
SCHEMBL5666942 0.74 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2IDH1SMN1; SMN2
SCHEMBL11929879 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2S1PR4HPGD
SCHEMBL27777752 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2S1PR4HPGD
SCHEMBL2161049 0.73 MRGPRX4 (0.43) ALDH1A1CYP3A4S1PR4IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046714-B1 Cyclopentane derivatives as antiglaucoma agents ALLERGAN INC (US) 2015-12-09 EP disclosed
EP-2043993-B1 CYCLOPENTANE DERIVATIVES AS ANTIGLAUCOMA AGENTS ALLERGAN INC (US) 2015-07-01 EP disclosed
EP-2069295-B1 SUBSTITUTED CYCLOPENTANE DERIVATIVES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2013-12-18 EP disclosed
US-8569349-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-10-29 US disclosed
EP-2291353-B1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS USED AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2013-09-04 EP disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 US disclosed
US-8252788-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-08-28 US disclosed
EP-2114875-B1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2012-08-15 EP disclosed
US-8003680-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-08-23 US disclosed
EP-2043993-A2 CYCLOPENTANE DERIVATIVES AS ANTIGLAUCOMA AGENTS Allergan, Inc. (US) 2009-04-08 EP disclosed
US-20080300269-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2008-12-04 US disclosed
US-7429669-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-09-30 US disclosed
US-20080119538-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US disclosed
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds ALLERGAN, INC. 2008-01-17 US disclosed
WO-2008008660-A2 CYCLOPENTANE DERIVATIVES AS ANTIGLAUCOMA AGENTS ALLERGAN, INC. (US) 2008-01-17 WO disclosed
WO-2008008718-A2 CYCLOPENTANE DERIVATIVES AS ANTIGLAUCOMA AGENTS ALLERGAN, INC. (US) 2008-01-17 WO disclosed
WO-2007149829-A2 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2007-12-27 WO disclosed
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists ALLERGAN, INC. 2007-12-20 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-20080300269-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ALDH1A1 1004/4885CYP3A4 2025/4885CA2 1491/4885
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists PTGIR, PTGIS, PTGER2 ALDH1A1 883/4885CYP3A4 1182/4885CA2 400/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ALDH1A1 1004/4885CYP3A4 2025/4885CA2 1491/4885
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds PTGER2, PTGER1, PTGS2 ALDH1A1 655/4885CYP3A4 1324/4885CA2 353/4885
US-20080119538-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, GOT1 ALDH1A1 553/4885CYP3A4 1567/4885CA2 1184/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 ALDH1A1 438/4885CYP3A4 1032/4885CA2 2343/4885

“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.