SCHEMBL4392399

SCHEMBL4392399

[CH2]C(N)(CCOCC)CCOCC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.32
TSHR P16473 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
SCHEMBL11551647 0.78
SCHEMBL1927203 0.78
Hydrochloric Acid SCHEMBL1927801 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL4396911 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11037408 0.74
SCHEMBL9864226 0.74
SCHEMBL11424626 0.74 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL16041674 0.74 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL10447578 0.72 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL21230819 0.72 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-0025846-B1 IMPROVED PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1984-03-07 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ALDH1A1 4231/4885THRB 3053/4885TSHR 3610/4885

“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.