SCHEMBL6317752

SCHEMBL6317752

OC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
CES2 O00748 1/20 0.54
MGLL Q99685 1/20 0.54
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP19A1 P11511 1/20 0.47
P2RX1 P51575 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PNMT P11086 1/20 0.46
ACP3 P15309 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL7768289 0.93 TSHR (0.54) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL62723 0.87 TSHR (0.67) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL25489557 0.85 TSHR (0.54) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL22932515 0.85 TSHR (0.54) TSHRMAPK1CES2MGLLHTR3E
Methyl Alcohol SCHEMBL9419583 0.84 TSHR (0.58) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL30553105 0.84 TSHR (0.64) TSHRMAPK1CES2MGLLHTR3E
Fluoride SCHEMBL30661872 0.84 TSHR (0.64) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL28126330 0.84 TSHR (0.64) TSHRMAPK1CES2MGLLHTR3E
Benzene SCHEMBL8568955 0.84 TSHR (0.67) TSHRMAPK1CES2MGLLHTR3E
SCHEMBL30252943 0.84 TSHR (0.64) TSHRMAPK1CES2MGLLHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282982-A1 Amido complexes of vanadium for olefin polymerization LANXESS DEUTSCHLAND GMBH (DE) 2005-12-22 US disclosed
EP-0800116-B1 Photoresist composition MITSUBISHI CHEM CORP (JP) 2001-08-22 EP disclosed
EP-0895127-A2 Photoresist composition MITSUBISHI CHEMICAL CORPORATION (JP) 1999-02-03 EP disclosed
US-5759736-A Photoresist composition MITSUBISHI CHEMICAL CORPORATION (JP) 1998-06-02 US disclosed
EP-0800116-A1 Photoresist composition Mitsubishi Chemical Corporation (JP) 1997-10-08 EP disclosed
US-4792635-A Symmetric benzophenones substituted by groups containing fluorine BAYER AKTIENGESELLSCHAFT (DE) 1988-12-20 US disclosed
EP-0156278-B1 PROCESS FOR THE PREPARATION OF SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS, THEIR USE AND SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS BAYER AG (DE) 1988-03-02 EP disclosed
EP-0156278-A2 Process for the preparation of symmetrical benzophenones substituted by fluor-containing groups, their use and symmetrical benzophenones substituted by fluor-containing groups BAYER AG (DE) 1985-10-02 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-20050282982-A1 Amido complexes of vanadium for olefin polymerization NOX4, NOXO1, COG4 TSHR 4760/4885MAPK1 3477/4885CES2 2822/4885

“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.