SCHEMBL6700864

SCHEMBL6700864

O=C(O)c1cc(OC(F)(F)F)ccc1OCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
MRGPRX4 Q96LA9 4/20 0.51
PTGER1 P34995 1/20 0.51
FOLH1 Q04609 2/20 0.50
RXRG P48443 2/20 0.49
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6700568 0.89 MAOB (0.48) RXRARXRBMRGPRX4PTGER1MAOB
SCHEMBL6702523 0.87 PTGER1 (0.47) RXRARXRBMRGPRX4PTGER1MAOB
SCHEMBL8337276 0.82 PTGER1 (0.49) MRGPRX4PTGER1MAOBUSP28USP25
SCHEMBL6696303 0.81 USP28 (0.54) MRGPRX4PTGER1MAOBMAOAUSP28
SCHEMBL2447727 0.80 RXRA (0.63) RXRARXRBMRGPRX4FOLH1RXRG
SCHEMBL27051378 0.80 TSHR (0.49) MRGPRX4KDM4EALDH1A1
SCHEMBL6701726 0.79 USP28 (0.49) MRGPRX4PTGER1MAOBMAOAUSP28
SCHEMBL6932748 0.78 USP28 (0.47) RXRARXRBMRGPRX4PTGER1USP28
SCHEMBL27051503 0.78 KMT2A (0.48) RXRARXRBMRGPRX4FOLH1RXRG
SCHEMBL11818371 0.78 PTPRG (0.44) RXRARXRBMRGPRX4KDM4EALDH1A1

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 3 patents. 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
EP-1368300-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070462-A1 SUBSTITUTED AMINO DICARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 WO 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 RXRA 2654/4885RXRB 3035/4885MRGPRX4 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.