SCHEMBL19325317

SCHEMBL19325317

C=C(CCN)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.32

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
SCHEMBL19325318 0.81
SCHEMBL24242135 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL891740 0.73
SCHEMBL13786356 0.73
SCHEMBL9493736 0.73 TSHR (0.44) TSHRALDH1A1
SCHEMBL18973793 0.70
SCHEMBL8723924 0.69 TSHR (0.54) TSHRALDH1A1HPGD
SCHEMBL28396873 0.69 TSHR (0.53) TSHRALDH1A1
Ethylenediamine SCHEMBL7702384 0.68 TSHR (0.43) TSHRALDH1A1
SCHEMBL891686 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. 2017-09-07 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-20170252347-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 TSHR 3498/4885ALDH1A1 2044/4885HPGD 930/4885

“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.