SCHEMBL6700714

SCHEMBL6700714

COC(=O)CCCCN(CCc1cc(-c2ccc(F)cc2F)ccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.42
RORC P51449 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
PAX8 Q06710 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
ALOX5 P09917 2/20 0.35
PSEN1 P49768 2/20 0.35
FEN1 P39748 1/20 0.35
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL13009915 0.94 PPARD (0.39) PPARDMRGPRX4FFAR4ALOX5PSEN1
SCHEMBL13009862 0.88 FEN1 (0.39) FFAR4PSEN1FEN1
SCHEMBL13009860 0.87 MAPT (0.40) PPARDMRGPRX4FFAR4ALOX5PSEN1
SCHEMBL6701875 0.87 PPARD (0.45) PPARDMRGPRX4FFAR4FEN1PPARG
SCHEMBL6700661 0.86 FFAR4 (0.42) FFAR4FEN1
SCHEMBL2996892 0.86 FFAR4 (0.42) FFAR4PSEN1
SCHEMBL13009912 0.86 SMPD1 (0.43) FFAR4
SCHEMBL13009903 0.85 MTNR1B (0.42) FFAR4
SCHEMBL2884334 0.84 PTPN1 (0.36) PPARDMRGPRX4ALOX5PSEN1PPARA
SCHEMBL13009767 0.82 MEN1 (0.42) PPARDMRGPRX4ALOX5PSEN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176446-A1 Substituted amino dicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-09-09 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-20040176446-A1 Substituted amino dicarboxylic acid derivatives BCAT2, BCAT1, AADAT PPARD 439/4885RORC 2714/4885MRGPRX4 3751/4885

“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.