SCHEMBL14539293

SCHEMBL14539293

CCCCOC[C@@H]1CC[C@@H]2O[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPP5C P53041 1/20 0.36
TSHR P16473 2/20 0.33
PDK1 Q15118 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
SCHEMBL11981972 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1PPP5CTSHR
SCHEMBL10218188 0.85 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1PPP5CTSHR
SCHEMBL13086088 0.84 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1TDP1
SCHEMBL16556717 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1
SCHEMBL13086175 0.74 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL17087049 0.72 PPP5C (0.50) SMN1; SMN2ALDH1A1TDP1PPP5CTSHR
SCHEMBL18391823 0.72 PPP5C (0.50) SMN1; SMN2ALDH1A1TDP1PPP5CTSHR
SCHEMBL21391306 0.71
SCHEMBL13935548 0.70 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL24238134 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1PPP5CPDK1

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-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 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-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ SMN1; SMN2 4026/4885ALDH1A1 4837/4885TDP1 4081/4885

“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.