SCHEMBL5483844

SCHEMBL5483844

COC(=O)C(C)(C)Oc1cc(OC)c(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PPARD Q03181 7/20 0.36
PPARA Q07869 4/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ACACB O00763 2/20 0.36
MCHR1 Q99705 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.35
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5482249 0.92 PPARA (0.42) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL5487646 0.84 PPARA (0.42) PPARDPPARAFFAR1FFAR4ACACB
SCHEMBL5483541 0.80 FBP1 (0.43) PPARDPPARAFFAR1FFAR4LMNA
SCHEMBL5487844 0.78 PPARD (0.53) PPARDPPARAFFAR4PPARG
SCHEMBL2425932 0.75 MCHR1 (0.39) PPARDPPARAFFAR1FFAR4MCHR1
SCHEMBL5486993 0.75 PPARA (0.42) PPARDPPARAFFAR1FFAR4LMNA
SCHEMBL5481254 0.75 PPARA (0.40) PTPN2PTPN1PPARDPPARAFFAR1
SCHEMBL5489663 0.75 FBP1 (0.44) PPARDPPARALMNAPPARGCYP1A2
SCHEMBL5485688 0.74 PPARA (0.50) PPARDPPARAFFAR1FFAR4PPARG
SCHEMBL5487400 0.74 PPARD (0.44) PPARDPPARALMNAPPARGCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PTPN2 2249/4885PTPN1 2553/4885PPARD 1/4885

“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.