SCHEMBL2889004

SCHEMBL2889004

COC(=O)c1cc(C(=O)c2ccc(Br)c(C(=O)OC)c2)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 1/20 0.46
NOTUM Q6P988 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 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
SCHEMBL851742 0.91 KDM4E (0.58) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL4914225 0.87 KDM4E (0.46) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL27437528 0.83 KDM4E (0.46) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL203438 0.83 GSK3B (0.49) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL14797167 0.83 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL6784000 0.82 KDM4E (0.56) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL861495 0.81 PTPN2 (0.54) ALDH1A1HPGDMAPTHSD17B10GAA
SCHEMBL16702560 0.80 KDM4E (0.41) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL18094286 0.80 KDM4E (0.41) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL31521444 0.80 NOTUM (0.53) ALDH1A1HPGDMAPTKDM4EHSD17B10

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 760/4885HPGD 366/4885MAPT 3432/4885

“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.