SCHEMBL125099

SCHEMBL125099

O=C(O)CCCC=CC[C@H]1C(=O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 8/20 0.67
PTGER3 P43115 5/20 0.67
MGLL Q99685 1/20 0.65
PTGER4 P35408 4/20 0.64
PTGER1 P34995 3/20 0.64
PTGER2 P43116 2/20 0.64
PTGIR P43119 2/20 0.64
TBXA2R P21731 2/20 0.64
NR1I2 O75469 1/20 0.64
ESR1 P03372 1/20 0.64
PGR P06401 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
OPRK1 P41145 1/20 0.64
PDE4D Q08499 1/20 0.64
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL125097 1.00 PTGFR (0.67) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL125098 1.00 PTGFR (0.67) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL13399725 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL13260944 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL13399820 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL23352763 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL3367851 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL3367843 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL3367848 0.90 MGLL (0.78) PTGFRPTGER3MGLLPTGER4PTGER1
SCHEMBL129363 0.88 MGLL (0.57) PTGFRPTGER3MGLLPTGER4PTGER1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390036-B1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2012-03-07 EP claimed
US-6670485-B2 Vision disorders ALLERGAN, INC. 2003-12-30 US claimed
US-6531504-B2 Such as (Z)-7-((1R,2R,3R)-2-((E)-(S)-5-(3-Chlorobenzo(b) thiophen-2-yl)-3-hydroxypent-1-enyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoic acid for treatment of hypertension and/or glaucoma ALLERGAN, INC. 2003-03-11 US claimed
US-20020177620-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN SALES, INC. 2002-11-28 US claimed
EP-1390036-B1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2012-03-07 EP disclosed
US-6670485-B2 Vision disorders ALLERGAN, INC. 2003-12-30 US disclosed
US-6531504-B2 Such as (Z)-7-((1R,2R,3R)-2-((E)-(S)-5-(3-Chlorobenzo(b) thiophen-2-yl)-3-hydroxypent-1-enyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoic acid for treatment of hypertension and/or glaucoma ALLERGAN, INC. 2003-03-11 US disclosed
US-20020177620-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN SALES, INC. 2002-11-28 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 (1 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-20020177620-A1 Prostanoic acid derivatives as agents for lowering intraocular pressure PTGIR, PTGS2, CBR1 PTGFR 26/4885PTGER3 68/4885MGLL 3813/4885

“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.