SCHEMBL1403694

SCHEMBL1403694

Cc1c[c]cc(C)c1CO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL1403740 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL457162 0.74 NOS3 (0.33)
SCHEMBL27560371 0.72
SCHEMBL28026198 0.69 ERBB2 (0.32)
SCHEMBL892872 0.69 CA1 (0.48) KDM4EALDH1A1HPGDHSD17B10GABRA1
SCHEMBL28968602 0.69 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL95192 0.69 HRH3 (0.40) KDM4EALDH1A1
SCHEMBL357603 0.69 GABRA1 (0.48) KDM4EALDH1A1HPGDHSD17B10GABRA1
SCHEMBL1403629 0.69 HPGD (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL320244 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US disclosed
WO-2008008700-A2 SUBSTITUTED CYCLOPENTANE DERIVATIVES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-01-17 WO disclosed
WO-2008008701-A2 SUBSTITUTED CYCLOPENTANE DERIVATIVES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-01-17 WO 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-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 (5 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 KDM4E 2886/4885ALDH1A1 883/4885HPGD 49/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 KDM4E 2878/4885ALDH1A1 1637/4885HPGD 2237/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO KDM4E 4700/4885ALDH1A1 1004/4885HPGD 1050/4885
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 KDM4E 3080/4885ALDH1A1 655/4885HPGD 16/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 KDM4E 4067/4885ALDH1A1 438/4885HPGD 514/4885

“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.