SCHEMBL1403629

SCHEMBL1403629

COCc1c(C)c[c]cc1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALK Q9UM73 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
SCHEMBL17652390 0.75 KDM4E (0.35) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL8750400 0.72 CYP1A2 (0.39) HPGDHSD17B10ALDH1A1GAA
SCHEMBL457162 0.70 NOS3 (0.33)
SCHEMBL14008505 0.70 HPGD (0.47) HPGDHSD17B10ALDH1A1ALOX15IGF1R
SCHEMBL27560371 0.69
SCHEMBL2283977 0.69 PDE3B (0.35) KDM4E
SCHEMBL11859769 0.69 ALDH1A1 (0.32) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL23638591 0.68 HPGD (0.42) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL11930746 0.68 HPGD (0.42) HPGDHSD17B10KDM4EALDH1A1GAA
SCHEMBL15216746 0.68 ALDH1A1 (0.46) HPGDHSD17B10ALDH1A1

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 38 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
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
WO-2008008701-A2 SUBSTITUTED CYCLOPENTANE DERIVATIVES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-01-17 WO disclosed
WO-2008008700-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-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 (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 HPGD 49/4885HSD17B10 1149/4885KDM4E 2886/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO HPGD 1050/4885HSD17B10 2050/4885KDM4E 4700/4885
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 HPGD 16/4885HSD17B10 351/4885KDM4E 3080/4885
US-20080119538-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, GOT1 HPGD 419/4885HSD17B10 1840/4885KDM4E 4249/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 HPGD 514/4885HSD17B10 2001/4885KDM4E 4067/4885

“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.