SCHEMBL5025938

SCHEMBL5025938

FC(F)(F)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.69
NR4A2 P43354 2/20 0.65
MAOB P27338 9/20 0.60
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
CACNA1B Q00975 1/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
BCHE P06276 1/20 0.54

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
SCHEMBL6231474 0.94 MRGPRX4 (0.63) MRGPRX4NR4A2MAOBPOLBMAPT
SCHEMBL5669711 0.90 MAOB (0.74) MRGPRX4NR4A2MAOBPOLBMAPT
SCHEMBL10335673 0.90 MAOB (0.65) MRGPRX4NR4A2MAOB
SCHEMBL5990835 0.87 MRGPRX4 (0.56) MRGPRX4NR4A2MAOBPPARGPPARA
SCHEMBL16804808 0.85 MAOB (0.62) MRGPRX4NR4A2MAOBMAPT
SCHEMBL18164441 0.85 MAOB (0.57) MRGPRX4NR4A2MAOBPOLBMAPT
SCHEMBL11790839 0.85 MRGPRX4 (0.57) MRGPRX4NR4A2MAOBPPARG
SCHEMBL18164545 0.84 MAOB (0.63) MRGPRX4NR4A2MAOBPOLBMAPT
SCHEMBL18164564 0.84 MAOB (0.59) MRGPRX4NR4A2MAOBMAPT
SCHEMBL18161388 0.84 NR4A2 (0.60) MRGPRX4NR4A2MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1194952-C Green synthetic process for high efficiency low poison pesticide and medicinal intermediate trifluoromethylphenol SHANGDONG NORMAL UNIV (CN) 2005-03-30 CN claimed
CN-1425638-A Green synthetic process for high efficiency low poison pesticide and medicinal intermediate trifluoromethylphenol UNIV SHANDONG (CN) 2003-06-25 CN claimed
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP claimed
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
US-20050267180-A1 Novel oxazole derivatives BINGGELI ALFRED 2005-12-01 US disclosed
US-6969725-B2 Oxazole derivatives HOFFMAN-LA ROCHE INC. (US) 2005-11-29 US disclosed
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
CN-1194952-C Green synthetic process for high efficiency low poison pesticide and medicinal intermediate trifluoromethylphenol SHANGDONG NORMAL UNIV (CN) 2005-03-30 CN disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
CN-1425638-A Green synthetic process for high efficiency low poison pesticide and medicinal intermediate trifluoromethylphenol UNIV SHANDONG (CN) 2003-06-25 CN disclosed
EP-0028305-B1 DIARYL COMPOUNDS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP disclosed
EP-0004447-B1 PREPARATION OF TRIFLUOROMETHYLPHENOLS AND NOVEL TRIFLUOROMETHYLPHENYL BENZYL ETHER INTERMEDIATES ELI LILLY AND COMPANY (US) 1981-12-02 EP disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 EP disclosed
US-4168388-A Trifluoromethylphenyl benzyl ethers ELI LILLY AND COMPANY (US) 1979-09-18 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-20050267180-A1 Novel oxazole derivatives NR1H3, NR1H2, PPARD MRGPRX4 2174/4885NR4A2 126/4885MAOB 4842/4885

“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.