SCHEMBL16668357

SCHEMBL16668357

CCCC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TRPA1 O75762 1/20 0.32
DRD2 P14416 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7595924 0.90 GAA (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16157239 0.87 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5156414 0.86 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5160031 0.86 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2169713 0.86 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5156408 0.86 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2169715 0.86 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17525909 0.85 CYP4F2 (0.35) TSHR
SCHEMBL28485140 0.84 MGAM (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15653581 0.84 MGAM (0.34) MGAMGAASIMGAM2ALDH1A1

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 MGAM 3892/4885GAA 2346/4885SI 4265/4885

“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.