SCHEMBL760923

SCHEMBL760923

CC(=O)OCc1cc(O)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 2/20 0.39
IDH1 O75874 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 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
SCHEMBL13034131 0.90 ALDH1A1 (0.53) ALDH1A1CYP3A4USP2HPGDIDO1
SCHEMBL12160553 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4HPGDIDH1HSP90AB1
SCHEMBL1423103 0.84 TNKS2 (0.42) ALDH1A1CYP3A4HCAR1USP2HPGD
SCHEMBL12014019 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4IDO1IDH1S1PR4
SCHEMBL11929879 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4USP2HPGDIDO1
SCHEMBL27777752 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4USP2HPGDIDO1
SCHEMBL12013414 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDIDO1IDH1
SCHEMBL5666942 0.80 ALDH1A1 (0.64) ALDH1A1CYP3A4IDH1SMN1; SMN2
SCHEMBL29074791 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4USP2HPGDIDH1
SCHEMBL8979356 0.78 ALDH1A1 (0.47) ALDH1A1HPGDS1PR4MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297085-B1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2019-03-20 EP disclosed
EP-2297085-B1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2019-03-20 EP disclosed
US-8541603-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-8541603-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2013-09-24 US 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
EP-2114875-B1 SUBSTITUTED ARYLCYLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2012-08-15 EP disclosed
EP-2288598-B1 THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2012-03-21 EP disclosed
EP-2288598-B1 THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS ALLERGAN INC (US) 2012-03-21 EP disclosed
CN-101102989-B Substituted cyclopentanes or cyclopentanones for the treatment of ocular hypertension ALLERGAN INC 2011-11-16 CN disclosed
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents ALLERGAN, INC. (US) 2008-03-06 US disclosed
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents ALLERGAN, INC. (US) 2008-03-06 US disclosed
US-7323591-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-01-29 US disclosed
US-7323591-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-01-29 US disclosed
CN-101102989-A Substituted cyclopentanes or cyclopentanones for the treatment of ocular hypertension ALLERGAN INC (US) 2008-01-09 CN 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
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS OLD DAVID W 2007-11-15 US disclosed
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS OLD DAVID W 2007-11-15 US disclosed
EP-1846354-A2 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES FOR THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS Allergan, Inc. (US) 2007-10-24 EP disclosed
WO-2006076370-A2 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES FOR THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS ALLERGAN, INC. (US) 2006-07-20 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 (4 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-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 1182/4885HCAR1 990/4885
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents CYC1, HSPE1, CYP27A1 ALDH1A1 1689/4885CYP3A4 2126/4885HCAR1 639/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ALDH1A1 1004/4885CYP3A4 2025/4885HCAR1 2891/4885
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS HCCS, MCL1, NME4 ALDH1A1 2087/4885CYP3A4 2876/4885HCAR1 2063/4885

“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.