SCHEMBL5084867

SCHEMBL5084867

O=c1cc(O)c2cc(Br)cc(Cl)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
MET P08581 1/20 0.46
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MCL1 Q07820 4/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
NQO1 P15559 1/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3079553 0.82 PIM1 (0.54) PIM1METCA12CA9CA1
SCHEMBL3087727 0.82 MET (0.49) PIM1METCA12CA9CA1
SCHEMBL2761864 0.76 MET (0.46) PIM1METCA12CA9CA1
SCHEMBL2761879 0.74 MET (0.56) METCA12CA9CA1ALDH1A1
SCHEMBL6679976 0.71 GAA (0.44) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL3583349 0.71 CA12 (0.54) PIM1METCA12CA9CA1
SCHEMBL15168788 0.68 AHR (0.40)
SCHEMBL21801314 0.68 CSNK2A2 (0.56) ALDH1A1KDM4EKMT2AMCL1CSNK2A2
SCHEMBL2761544 0.68 PIM1 (1.00) PIM1METCA12CA9CA1
SCHEMBL3072148 0.67 MCL1 (0.59) PIM1METCA12CA9CA1

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 PIM1 4635/4885MET 2096/4885CA12 4180/4885

“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.