SCHEMBL15032997

SCHEMBL15032997

C#CCCC(=O)N(CCOCCOCCO)CCOCCOCCOC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.30

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
SCHEMBL4274352 0.74 CYP1A2 (0.37) MEN1KMT2A
SCHEMBL19002633 0.73 POLB (0.37) CA2
SCHEMBL16355256 0.73 ALDH1A1 (0.40) CA2
SCHEMBL15071692 0.72 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL25032171 0.71 CA14 (0.35)
SCHEMBL25032343 0.71 CA14 (0.38) MEN1KMT2A
SCHEMBL10581659 0.71 TSHR (0.50) MEN1KMT2A
SCHEMBL19821373 0.71 DGKA (0.36)
SCHEMBL15432939 0.71 CA2 (0.36) CA2
Di(Hydroxyethyl)Ether SCHEMBL6418315 0.70 TSHR (0.47) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 MEN1 680/4885KMT2A 4228/4885CA2 36/4885

“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.