SCHEMBL7015874

SCHEMBL7015874

C=C(C)C(=O)OCCOC1C2CC(C(F)(F)F)C1OS(=O)(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL787121 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7012477 0.72 THRB (0.33) THRBALDH1A1TSHR
SCHEMBL7010578 0.72 THRB (0.33) THRB
SCHEMBL22131529 0.68 THRB (0.44) THRBALDH1A1TSHR
SCHEMBL14962547 0.67 THRB (0.46) THRBALDH1A1TSHR
SCHEMBL7009949 0.67 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL7009384 0.66 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL7017199 0.65 THRB (0.34) THRBALDH1A1TSHR
SCHEMBL13879037 0.64 THRB (0.53) THRBALDH1A1TSHR
SCHEMBL17532381 0.64 THRB (0.46) THRBALDH1A1TSHR

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-20120122034-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120122034-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME C1R, RCOR3, SULT1E1 THRB 3803/4885ALDH1A1 1929/4885TSHR 1751/4885

“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.