SCHEMBL5730263

SCHEMBL5730263

[CH2]CC(OCCOCC)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10899062 0.83 SHBG (0.41) SHBGALDH1A1NPSR1
SCHEMBL3751601 0.75 SHBG (0.38) SHBG
SCHEMBL9719516 0.71 SHBG (0.40) SHBG
SCHEMBL29251117 0.70 SHBG (0.33) SHBG
SCHEMBL12918643 0.69 ALDH1A1 (0.32) SHBGALDH1A1NPSR1
SCHEMBL8010811 0.69 SHBG (0.35) SHBG
SCHEMBL7285053 0.69 EPHX1 (0.36) SHBGALDH1A1
SCHEMBL7497508 0.69 SHBG (0.36) SHBG
SCHEMBL6437481 0.68 SHBG (0.46) SHBGALDH1A1NPSR1
SCHEMBL16992889 0.67 SHBG (0.44) SHBGALDH1A1NPSR1

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-1605947-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES Vasopharm Biotech GmbH (DE) 2005-12-21 EP claimed
WO-2005037286-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE AND SECONDARY ISCHEMIA VASOPHARM BIOTECH GMBH (DE) 2005-04-28 WO claimed
WO-2004084906-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES VASOPHARM BIOTECH GMBH (DE) 2004-10-07 WO claimed
US-20130184281-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES VASOPHARM BIOTECH GMBH (DE) 2013-07-18 US disclosed
EP-1605947-B1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE VASOPHARM BIOTECH GMBH (DE) 2006-08-02 EP disclosed
EP-1605947-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES Vasopharm Biotech GmbH (DE) 2005-12-21 EP disclosed
WO-2005037286-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE AND SECONDARY ISCHEMIA VASOPHARM BIOTECH GMBH (DE) 2005-04-28 WO disclosed
WO-2004084906-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES VASOPHARM BIOTECH GMBH (DE) 2004-10-07 WO 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-20130184281-A1 USE OF PTERIDINE DERIVATIVES FOR THE TREATMENT OF INCREASED INTRACRANIAL PRESSURE, SECONDARY ISCHEMIA, AND DISORDERS ASSOCIATED WITH AN INCREASED LEVEL OF CYTOTOXIC REACTIVE OXYGEN SPECIES IMPDH1, NME4, IDH2 SHBG 4298/4885ALDH1A1 2332/4885NPSR1 2428/4885

“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.