SCHEMBL295933

SCHEMBL295933

COCC1CN(CCO)CCO1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.53
DRD4 P21917 11/20 0.42
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
DRD2 P14416 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
SCHEMBL5150493 1.00 PDK1 (0.53) PDK1DRD4EPHA2KDREPHB4
SCHEMBL23107088 0.85 PDK1 (0.50) PDK1DRD4HRH3DRD2
SCHEMBL295932 0.83 PDK1 (0.49) PDK1DRD4HRH3DRD2
SCHEMBL5368215 0.83 PDK1 (0.49) PDK1DRD4HRH3
SCHEMBL5148568 0.83 PDK1 (0.49) PDK1DRD4HRH3DRD2
Hydrochloric Acid SCHEMBL5147633 0.82 PDK1 (0.48) PDK1DRD4HRH3DRD2
Hydrochloric Acid SCHEMBL5363720 0.82 PDK1 (0.48) PDK1DRD4HRH3DRD2
SCHEMBL10263231 0.81 PDK1 (0.53) PDK1DRD4HRH3DRD2
SCHEMBL6064721 0.81 KDM4E (0.42) PDK1DRD4EPHA2KDREPHB4
SCHEMBL24037258 0.81 PDK1 (0.53) PDK1DRD4HRH3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO disclosed
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
EP-1709965-A2 Methods of treating cytokine mediate diseases Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-10-11 EP disclosed
US-6916814-B2 Methods of treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA PDK1 2741/4885DRD4 3534/4885EPHA2 2319/4885

“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.