SCHEMBL1329940

SCHEMBL1329940

CC(C)C[C@H](C)C[C@H](C)CBr

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL12122432 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL11352423 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL12122478 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL1329632 0.94
SCHEMBL1329633 0.94
SCHEMBL12122420 0.94
SCHEMBL1977880 0.87
SCHEMBL23846021 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL31380967 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL19819960 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5

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-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2011-11-17 US disclosed
US-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2011-11-17 US disclosed
US-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2011-11-17 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-20110282075-A1 METHOD FOR PREPARING VITTATALACTONE FNTA, LCAT, AAAS ALDH1A1 2817/4885TSHR 3770/4885MAPK1 4407/4885

“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.