SCHEMBL3633788

SCHEMBL3633788

O=C(O)c1ccc(OCCCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
PLA2G4B P0C869 6/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 2/20 0.51
RARB P10826 5/20 0.51
HTT P42858 1/20 0.51
PLA2G4A P47712 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL25790166 0.92 PKM (0.59) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL25788217 0.89 PKM (0.53) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL679796 0.87 PKM (0.61) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL25788226 0.84 TSHR (0.59) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL848890 0.82 KMT2A (0.60) PLA2G4B
SCHEMBL927230 0.81 PKM (0.62) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL9578562 0.81 PKM (0.53) PKMTSHRTP53PLA2G4BALDH1A1
Hydrochloric Acid SCHEMBL8058585 0.81 RARB (0.60) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL4872013 0.81 RARB (0.59) PKMTSHRTP53PLA2G4BRARB
SCHEMBL118037 0.80 PKM (0.77) PKMTSHRTP53PLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 US disclosed
CN-108085021-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element and reaction product JSR株式会社 2021-06-08 CN disclosed
EP-2182405-A1 LIQUID CRYSTAL ALIGNING AGENT, METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE JSR Corporation (JP) 2010-05-05 EP disclosed
EP-2182407-A1 LIQUID CRYSTAL ALIGNING AGENT, METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE JSR Corporation (JP) 2010-05-05 EP disclosed
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP 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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SLC6A9, SLC6A5, REN PKM 4304/4885TSHR 4030/4885TP53 4795/4885

“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.