SCHEMBL1010229

SCHEMBL1010229

CC(C)OC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.61
PTGER3 P43115 4/20 0.40
PTGER1 P34995 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ABCB11 O95342 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER2 P43116 1/20 0.38
MGLL Q99685 1/20 0.37
TBXA2R P21731 1/20 0.36

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
SCHEMBL1010231 1.00 PTGER4 (0.61) PTGER4PTGER3PTGER1KDM4EMEN1
SCHEMBL1009212 0.93 PTGER4 (0.71) PTGER4PTGER3PTGER1PTGER2MGLL
SCHEMBL1009213 0.93 PTGER4 (0.71) PTGER4PTGER3PTGER1PTGER2MGLL
SCHEMBL12952657 0.92 PTGER4 (0.59) PTGER4PTGER3PTGER1KDM4EMEN1
SCHEMBL1013598 0.90 PTGER4 (0.68) PTGER4PTGER3PTGER1MAPK1PTGFR
SCHEMBL1011637 0.90 PTGER4 (0.68) PTGER4PTGER3PTGER1MAPK1PTGFR
SCHEMBL4502745 0.85 PTGER4 (0.67) PTGER4PTGER3PTGER1MAPK1PTGFR
SCHEMBL4502747 0.85 PTGER4 (0.67) PTGER4PTGER3PTGER1MAPK1PTGFR
SCHEMBL12952604 0.85 PTGER4 (0.68) PTGER4PTGER3PTGER1KDM4EABCB11
SCHEMBL20750009 0.84 PTGER4 (0.55) PTGER4PTGER3PTGER1KDM4EMEN1

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 11 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-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.