SCHEMBL127314

SCHEMBL127314

[CH2]CCCCOC(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
DNM1 Q05193 1/20 0.42
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
EPHX2 P34913 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
SCHEMBL7842772 0.98 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL128763 0.98 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7839343 0.98 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7837005 0.98 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL125163 0.94 DGKA (0.52) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL5256636 0.90 DGKA (0.59) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL421653 0.89 NAAA (0.60) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7838818 0.88 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7837625 0.88 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7332890 0.88 DGKA (0.68) NAAADGKAHTR2CPRSS1PRSS2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-1556682-B8 IP3 PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2010-02-17 EP disclosed
EP-1556682-B1 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2009-10-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1556682-A4 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX INC (US) 2007-06-06 EP disclosed
EP-1556682-A2 IP sb 3 /sb PROTEIN BINDING ASSAY Discoverx, Inc. (US) 2005-07-27 EP disclosed
US-20040106158-A1 IP3 protein binding assay DISCOVERX, INC. 2004-06-03 US disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
US-5658942-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1997-08-19 US disclosed
US-5604256-A (7-(5-(1,3-DIOXANE-5YL)METHOXYIMINO-2-METHYL-8-(2-METHYLBUTYR -OXY)3-OXO-1,2,3,5,6,7,8,8A-OCTAHYDRO-1-NAPHTHYL)-3-HYDROXY-5 -OXOHEPTANOIC ACID AND SALTS SANKYO COMPANY, LIMITED (JP) 1997-02-18 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed
EP-0570245-B1 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO CO (JP) 1996-10-30 EP disclosed
US-5403860-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1995-04-04 US disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 EP disclosed
EP-0314435-B1 OCTAHYDRONAPHTHALENE OXIME DERIVATIVES FOR CHOLESTEROL SYNTHESIS INHIBITION, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Sankyo Company Limited (JP) 1993-09-29 EP disclosed
US-4997848-A Enzyme inhibitors SANKYO COMPANY, LIMITED (JP) 1991-03-05 US disclosed
EP-0314435-A2 Octahydronaphthalene oxime derivatives for cholesterol synthesis inhibition, processes for their preparation and compositions containing them Sankyo Company Limited (JP) 1989-05-03 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NAAA 2716/4885DGKA 3277/4885HTR2C 87/4885

“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.