SCHEMBL13612658

SCHEMBL13612658

C=C(C)C(=O)OCC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL22662270 0.88 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL13554470 0.83 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9610645 0.82 TSHR (0.42) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5889471 0.82 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL36589 0.82 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL5889658 0.82 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL245591 0.81 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL36595 0.81 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL246606 0.81 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL962842 0.81 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1

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-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 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-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 TSHR 2259/4885THRB 2556/4885ALDH1A1 755/4885

“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.