SCHEMBL16669155

SCHEMBL16669155

COP(=O)(CC(=O)CCCCCO[Si](C)(C)C(C)(C)C)OC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
DUT P33316 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
SCHEMBL9632997 0.94 DUT (0.33) DUT
SCHEMBL16668985 0.85 DUT (0.33) ALDH1A1DUT
SCHEMBL10018325 0.85 ALDH1A1 (0.36) ALDH1A1DUT
SCHEMBL7951205 0.80 ALDH1A1 (0.53) ALDH1A1
SCHEMBL5970421 0.79 DUT (0.34) DUT
SCHEMBL28708027 0.79 DUT (0.35) DUT
SCHEMBL8345865 0.79 BTN3A1 (0.32)
SCHEMBL25278776 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL25288591 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL16668883 0.77

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-9315486-B2 Therapeutic cyclopentanols, compositions thereof, and methods for use thereof ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF ALLERGAN, INC. 2015-04-30 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-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF PTGIS, PDE3A, PTGIR ALDH1A1 1422/4885DUT 1898/4885

“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.