SCHEMBL4779892

SCHEMBL4779892

COc1cc(Br)c(Br)c(Br)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.68
ERN1 O75460 2/20 0.61
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALOX5 P09917 1/20 0.57
PTGS2 P35354 1/20 0.57
ALOX15 P16050 2/20 0.53
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX12 P18054 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 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
SCHEMBL12584704 0.80 PTGS2 (0.50) AKR1B1ERN1MAPTALOX5PTGS2
SCHEMBL4780375 0.78 MAPT (0.64) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL16978279 0.78 ERN1 (0.49) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL6131877 0.78 ERN1 (0.49) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL27082323 0.77 AKR1B1 (0.61) AKR1B1MAPTALOX15EGFRPOLB
SCHEMBL12767437 0.77 ERN1 (1.00) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL31060309 0.77 ERN1 (1.00) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL1620685 0.74 ALOX5 (0.53) AKR1B1ERN1MAPTNPSR1ALOX5
SCHEMBL1646879 0.74 ERN1 (0.64) ERN1MAPTTDP1KDM4ELMNA
SCHEMBL1879373 0.73 ERN1 (0.64) ERN1MAPTALOX5PTGS2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871370-A2 ANTIBACTERIAL COMPOUNDS AND USES THEREOF Pinnacle Pharmaceuticals (US) 2008-01-02 EP disclosed
WO-2007086895-A9 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-11-08 WO disclosed
WO-2007086895-A9 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-11-08 WO disclosed
WO-2007086895-A2 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-08-02 WO disclosed
WO-2007086895-A2 ANTIBACTERIAL COMPOUNDS AND USES THEREOF PINNACLE PHARMACEUTICALS (US) 2007-08-02 WO disclosed
US-20060235047-A1 Antibacterial compounds and uses thereof PINNACLE PHARMACEUTICALS 2006-10-19 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-20060235047-A1 Antibacterial compounds and uses thereof PBDC1, TRIB1, TRIB2 AKR1B1 2412/4885ERN1 2969/4885MAPT 4021/4885

“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.