SCHEMBL1013598

SCHEMBL1013598

O=C(O)CCCC=CC[C@H]1C(=O)CC[C@@H]1C=CC(O)CCc1sc2ccccc2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.68
PTGER3 P43115 7/20 0.45
PTGER1 P34995 4/20 0.45
PTGFR P43088 3/20 0.43
PTGER2 P43116 5/20 0.42
PTGIR P43119 2/20 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
PDE4D Q08499 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL1011637 1.00 PTGER4 (0.68) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL4502745 0.95 PTGER4 (0.67) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL4502747 0.95 PTGER4 (0.67) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL12952606 0.91 PTGER4 (0.65) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL1009212 0.91 PTGER4 (0.71) PTGER4PTGER3PTGER1PTGER2MGLL
SCHEMBL1009213 0.91 PTGER4 (0.71) PTGER4PTGER3PTGER1PTGER2MGLL
SCHEMBL4492402 0.91 PTGER4 (0.73) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL4492407 0.91 PTGER4 (0.73) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL1010229 0.90 PTGER4 (0.61) PTGER4PTGER3PTGER1PTGFRPTGER2
SCHEMBL1010231 0.90 PTGER4 (0.61) PTGER4PTGER3PTGER1PTGFRPTGER2

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.