SCHEMBL6700568

SCHEMBL6700568

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
SMPD1 P17405 1/20 0.48
PTGER1 P34995 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
LRRK2 Q5S007 2/20 0.45
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
CCR5 P51681 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL6700864 0.89 RXRA (0.51) MAOBMAOAMRGPRX4PTGER1FFAR4
SCHEMBL6702523 0.88 PTGER1 (0.47) MAOBMAOAMRGPRX4SMPD1PTGER1
SCHEMBL8337276 0.80 PTGER1 (0.49) MAOBMRGPRX4PTGER1LRRK2USP28
SCHEMBL13581056 0.79 MRGPRX4 (0.55) MRGPRX4LRRK2
SCHEMBL13581072 0.79 EPHX2 (0.50) MRGPRX4FFAR4RXRARXRB
SCHEMBL5927325 0.78 PTGER1 (0.51) SMPD1PTGER1LRRK2CCR5RXRA
SCHEMBL6699108 0.78 USP28 (0.50) MRGPRX4SMPD1PTGER1USP28USP25
SCHEMBL6696303 0.78 USP28 (0.54) MAOBMAOAMRGPRX4PTGER1USP28
SCHEMBL5431545 0.77 LRRK2 (0.63) SMPD1LRRK2CCR5ALDH1A1
SCHEMBL2888586 0.77 MAPT (0.49) MAOBMAOASMPD1FFAR4CCR5

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 MAOB 2990/4885MAOA 2728/4885MRGPRX4 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.