SCHEMBL2893364

SCHEMBL2893364

COC(=O)c1cc(Cc2ccc(Br)c(C(=O)OC)c2)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 2/20 0.65
GAA P10253 2/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CFD P00746 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
RAB9A P51151 1/20 0.44
HTT P42858 3/20 0.43
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
MMP9 P14780 1/20 0.42
DNMT1 P26358 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
SCHEMBL23033950 0.88 CA12 (0.51) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL603667 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL27433184 0.86 LOXL2 (0.54) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL31385513 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL30966102 0.86 LOXL2 (0.54) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL27434050 0.85 CYP4A11 (0.54) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2549128 0.82 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL534527 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL14795311 0.80 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL10628012 0.80 TSHR (0.67) ALDH1A1MAPTKDM4EGAAHPGD

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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R ALDH1A1 760/4885MAPT 3432/4885KDM4E 3526/4885

“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.