SCHEMBL5085018

SCHEMBL5085018

O=c1oc2cc(O)ccc2cc1-c1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.72
NPC1 O15118 3/20 0.72
ESR2 Q92731 2/20 0.67
PTGS1 P23219 1/20 0.65
GAPDH P04406 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GLA P06280 2/20 0.60
HPGD P15428 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAOB P27338 2/20 0.60
ERAP1 Q9NZ08 2/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL980362 0.88 MIF (0.80) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL1325165 0.84 MIF (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL591688 0.84 MIF (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL8117543 0.83 MIF (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL4054863 0.82 RAB9A (0.73) MIFNPC1ESR2GAPDHMEN1
SCHEMBL2166723 0.81 ESR2 (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL28596131 0.80 MIF (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL7858093 0.80 NPC1 (0.74) MIFNPC1GAPDHMEN1KMT2A
SCHEMBL30108442 0.80 MIF (1.00) MIFNPC1ESR2PTGS1GAPDH
SCHEMBL28142014 0.79 PTGS1 (1.00) MIFNPC1ESR2PTGS1MEN1

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
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MIF 1992/4885NPC1 362/4885ESR2 145/4885

“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.