SCHEMBL692747

SCHEMBL692747

CC(C)C(O)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
LMNA P02545 4/20 0.38
ADRA2C P18825 2/20 0.38
HIF1A Q16665 2/20 0.38
ADRA2A P08913 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRB1 P08588 1/20 0.36
MIF P14174 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1167332 0.83
SCHEMBL28241299 0.83
SCHEMBL2577858 0.83
SCHEMBL27806528 0.78 HDAC1 (0.31)
SCHEMBL1071254 0.78 TAAR1 (0.30)
SCHEMBL95729 0.78
SCHEMBL353016 0.78
SCHEMBL28216850 0.78 AOC3 (0.35) AOC3SLC6A4
SCHEMBL27729555 0.76 HDAC4 (0.32) KDM4EALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL6633769 0.75 DPP4 (0.36) KDM4ELMNAADRA2CHIF1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP claimed
EP-1663960-B1 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2011-08-24 EP 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
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
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-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
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 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 (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 KDM4E 2886/4885LMNA 3367/4885ADRA2C 56/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO KDM4E 4700/4885LMNA 3173/4885ADRA2C 1366/4885
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 3080/4885LMNA 2290/4885ADRA2C 162/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 KDM4E 4067/4885LMNA 2115/4885ADRA2C 1169/4885

“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.