SCHEMBL17211882

SCHEMBL17211882

C=C(C)C(=O)OCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
DUT P33316 2/20 0.35

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
SCHEMBL907714 0.89 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1046104 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17211881 0.82 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29136601 0.82 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7086769 0.82 DUT (0.37) TSHRPOLBTDP1DUT
SCHEMBL19460464 0.82 DUT (0.39) ALDH1A1DUT
SCHEMBL13057763 0.81 TSHR (0.38) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.81 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL919922 0.80 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16696044 0.80 ALDH1A1 (0.47) TSHRALDH1A1DUT

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-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS ALCON INC. (CH) 2015-10-29 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-20150309210-A1 HYDROPHILIZED CARBOSILOXANE VINYLIC MONOMERS VCL, MACF1, HCAR1 TSHR 3251/4885THRB 3475/4885POLB 4519/4885

“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.