SCHEMBL864732

SCHEMBL864732

C=C(C)C(=O)OC(CCOC)C(F)(F)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 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
SCHEMBL864633 0.87 TSHR (0.46) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL10170949 0.85 TSHR (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10170881 0.85 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL891899 0.77 ALDH1A1 (0.41) TSHRALDH1A1CA1CA2THRB
SCHEMBL891867 0.77 TSHR (0.37) TSHRTHRB
SCHEMBL22662345 0.75 TSHR (0.36) TSHRTHRB
SCHEMBL1143936 0.75 TSHR (0.33) TSHRALDH1A1THRB
SCHEMBL22662344 0.74 THRB (0.33) TSHRTHRB
SCHEMBL16937450 0.74 THRB (0.34) TSHRTHRB
SCHEMBL47314 0.73 THRB (0.38) TSHRALDH1A1HTTTHRB

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-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

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 2270/4885ALDH1A1 4430/4885POLB 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.