SCHEMBL1403779

SCHEMBL1403779

CCCCCC(O)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
ALOX5 P09917 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL1403700 0.89 LMNA (0.39) ALDH1A1KDM4ELMNACYP1A2HIF1A
SCHEMBL20774449 0.83 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ANPSR1ASAH1
SCHEMBL27806551 0.83 NR1I2 (0.39) ALDH1A1CYSLTR2CYSLTR1CSNK1ENAAA
SCHEMBL3819879 0.82 RIPK1 (0.34) ALDH1A1KDM4ELMNARIPK1
SCHEMBL27306885 0.82 LMNA (0.57) ALDH1A1KDM4ELMNACYP1A2HIF1A
SCHEMBL20853886 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1ASAH1
SCHEMBL20774543 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1ASAH1
SCHEMBL20853875 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1ASAH1
SCHEMBL20854124 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1ASAH1
SCHEMBL20774452 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025028-A Asthma BOEHRINGER MANNHEIM GMBH (DE) 1991-06-18 US claimed
US-4906666-A Hydroxamic acids and pharmaceutical compositions containing them, and anti-allergic use thereof BOEHRINGER MANNHEIM GMBH (DE) 1990-03-06 US 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
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
US-4625034-A 1,2-Dihydro; 1,2,3,4-tetrahydro; 5,8 dihydro; and 5,6,7,8-tetrahydroquinoline derivatives USV PHARMACEUTICAL CORP. (US) 1986-11-25 US disclosed
EP-0190722-A2 Dihydro and tetrahydroquinoline derivatives USV PHARMACEUTICAL CORPORATION (US) 1986-08-13 EP 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 883/4885KDM4E 2886/4885LMNA 3367/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ALDH1A1 1004/4885KDM4E 4700/4885LMNA 3173/4885
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 655/4885KDM4E 3080/4885LMNA 2290/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 ALDH1A1 438/4885KDM4E 4067/4885LMNA 2115/4885

“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.