SCHEMBL4422263

SCHEMBL4422263

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc(CCC(=O)O)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRG P48443 5/20 0.48
RXRA P19793 4/20 0.48
RXRB P28702 4/20 0.48
PPARD Q03181 8/20 0.47
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
FFAR4 Q5NUL3 7/20 0.46
FFAR1 O14842 3/20 0.46
FFAR2 O15552 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
SCHEMBL4424689 0.92 PPARD (0.45) RXRGRXRARXRBPPARDPPARA
SCHEMBL4417761 0.90 TRPM2 (0.43) RXRGRXRARXRBPPARDPPARA
SCHEMBL1549925 0.85 FFAR4 (0.65) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL4420148 0.83 FFAR4 (0.56) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL4421601 0.82 TRPM2 (0.43) RXRGRXRARXRBPPARDPPARA
SCHEMBL1549190 0.81 FFAR4 (0.52) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL1549830 0.79 PPARD (0.58) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL4417675 0.78 FFAR1 (0.42) RXRGRXRARXRBPPARDPPARA
SCHEMBL1549526 0.76 FFAR4 (0.52) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL4424891 0.75 PPARG (0.50) PPARDPPARAPPARGFFAR4FFAR1

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-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US claimed
JP-2007509998-A 2007-04-19 JP claimed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO claimed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG RXRG 13/4885RXRA 17/4885RXRB 16/4885

“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.