SCHEMBL4375933

SCHEMBL4375933

O=C1CCCC(CC[C@@H](O)Cc2ccccc2)N1CC#CCOCCO

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL4375929 1.00 PTGER3 (0.39) PTGER3PTGER4PTGER2PTGER1
SCHEMBL4375938 1.00 PTGER3 (0.39) PTGER3PTGER4PTGER2PTGER1
SCHEMBL4384070 0.90 PTGER3 (0.42) PTGER3PTGER4PTGER2PTGER1
SCHEMBL4384068 0.90 PTGER3 (0.42) PTGER3PTGER4PTGER2PTGER1
SCHEMBL4384064 0.90 PTGER3 (0.42) PTGER3PTGER4PTGER2PTGER1
SCHEMBL14277415 0.87 PTGER4 (0.42) PTGER3PTGER4PTGER2
SCHEMBL4376419 0.87 PTGER4 (0.39) PTGER3PTGER4PTGER2
SCHEMBL4376416 0.87 PTGER4 (0.39) PTGER3PTGER4PTGER2
SCHEMBL4376414 0.87 PTGER4 (0.39) PTGER3PTGER4PTGER2
SCHEMBL14268650 0.81 PTGER4 (0.51) PTGER3PTGER4PTGER2

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-1631355-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
EP-1817033-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-08-15 EP disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 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 (2 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-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 PTGER3 8/4885PTGER4 18/4885PTGER2 33/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER3 5/4885PTGER4 14/4885PTGER2 10/4885

“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.