SCHEMBL10170949

SCHEMBL10170949

C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OCCCOC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.33
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
SCHEMBL10170881 0.97 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL864633 0.89 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1143936 0.85 TSHR (0.33) TSHRTHRB
SCHEMBL22662345 0.85 TSHR (0.36) TSHRTHRB
SCHEMBL864732 0.85 TSHR (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16937450 0.84 THRB (0.34) TSHRTHRB
SCHEMBL47314 0.83 THRB (0.38) TSHRTHRBHTT
SCHEMBL4568746 0.82 ALDH1A1 (0.39) TSHRTHRB
SCHEMBL22662344 0.82 THRB (0.33) TSHRTHRB
SCHEMBL22662272 0.82 THRB (0.33) TSHRTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method CENTRAL GLASS COMPANY, LIMITED (JP) 2012-03-29 US disclosed
US-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method CENTRAL GLASS COMPANY, LIMITED (JP) 2012-03-29 US disclosed
WO-2010140483-A1 FLUORINE-CONTAINING COMPOUND, FLUORINE-CONTAINING POLYMER COMPOUND, RESIST COMPOSITION, TOP COAT COMPOSITION AND PATTERN FORMATION METHOD セントラル硝子株式会社 (JP) 2010-12-09 WO 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-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method FRG1, AFF2, FBXL19 TSHR 2270/4885THRB 3872/4885POLB 249/4885

“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.