SCHEMBL4381445

SCHEMBL4381445

COC(=O)CCCCCCN1C(=O)CCCC1CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.40
PTGER3 P43115 4/20 0.40
PTGER2 P43116 3/20 0.40
KAT2B Q92831 2/20 0.39
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4381437 1.00 PTGER4 (0.40) PTGER4PTGER3PTGER2KAT2BEPHX2
SCHEMBL16088758 0.92 PTGER4 (0.46) PTGER4PTGER3PTGER2KAT2BHPGD
SCHEMBL11624113 0.92 PTGER4 (0.46) PTGER4PTGER3PTGER2KAT2BHPGD
SCHEMBL757353 0.86 PTGER4 (0.43) PTGER4PTGER3PTGER2EPHX2SMN1; SMN2
SCHEMBL2213020 0.86 GAA (0.47) PTGER4PTGER3PTGER2
SCHEMBL757352 0.86 PTGER4 (0.43) PTGER4PTGER3PTGER2EPHX2SMN1; SMN2
SCHEMBL12432872 0.85 ALDH1A1 (0.46) PTGER4PTGER3PTGER2
SCHEMBL4375210 0.85 PTGER4 (0.38) PTGER4PTGER3PTGER2HPGDHTT
SCHEMBL4375203 0.85 PTGER4 (0.38) PTGER4PTGER3PTGER2HPGDHTT
SCHEMBL5766710 0.84 PTGER4 (0.37) PTGER4PTGER3PTGER2HPGDHTT

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-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
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 US disclosed
US-6747037-B1 TREATING OCULAR HYPERTENSION OR GLAUCOMA; REDUCED SIDE EFFECTS ALLERGAN, INC. 2004-06-08 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 PTGER4 18/4885PTGER3 8/4885PTGER2 33/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER4 14/4885PTGER3 5/4885PTGER2 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.