SCHEMBL19214065

SCHEMBL19214065

C=CCCCCN(C)C(=O)OCCON=CCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL19214069 0.85 DNM1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17520282 0.78 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL17493274 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL17493270 0.75 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL19214066 0.73 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL23225640 0.73 ALDH1A1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL13648392 0.70 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL19214062 0.69 ALDH1A1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL24131324 0.67 TSHR (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL23225639 0.66 CA12 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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-20170224839-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2017-08-10 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-20170224839-A1 NANOPARTICLES FOR DRUG DELIVERY MSN, CD47, MTHFD1 CHRNB2 2838/4885CHRNB4 3178/4885CHRNA3 2241/4885

“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.