SCHEMBL1009282

SCHEMBL1009282

COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](CO)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.72
PTGER3 P43115 4/20 0.49
PTGER1 P34995 2/20 0.49
MGLL Q99685 1/20 0.48
PTGFR P43088 2/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGIR P43119 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL1011742 1.00 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL12952565 1.00 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1011019 0.94 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1011021 0.94 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1011401 0.91 PTGER4 (0.74) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1011402 0.91 PTGER4 (0.74) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1011554 0.91 PTGER4 (0.70) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1010152 0.91 PTGER4 (0.70) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1013467 0.90 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR
SCHEMBL1013469 0.90 PTGER4 (0.72) PTGER4PTGER3PTGER1MGLLPTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812387-B1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-01-05 EP claimed
EP-1812387-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-08-01 EP claimed
US-7101906-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-09-05 US claimed
WO-2006055481-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN , INC. (US) 2006-05-26 WO claimed
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-05-18 US claimed
EP-1812387-B1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2011-01-05 EP disclosed
EP-1812387-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2007-08-01 EP disclosed
US-7101906-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-09-05 US disclosed
WO-2006055481-A1 2,3,4-SUBSTITUTED CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN , INC. (US) 2006-05-26 WO disclosed
US-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2006-05-18 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-20060106088-A1 2,3,4-Substituted cyclopentanones as therapeutic agents CYCS, CA6, COX6C PTGER4 663/4885PTGER3 189/4885PTGER1 609/4885

“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.