SCHEMBL5426832

SCHEMBL5426832

COc1ccc(-c2c(O)c3ccc(OC)cc3oc2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.75
NPC1 O15118 3/20 0.66
NQO1 P15559 1/20 0.64
MAPT P10636 6/20 0.63
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 3/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 3/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL38652382 0.93 MAOB (0.73) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL5141444 0.92 MAOB (0.71) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL15103561 0.87 CA1 (0.63) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL11485562 0.86 MAOB (1.00) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL28085675 0.85 MAOB (0.65) MAOBNPC1MAPTKDM4EALDH1A1
SCHEMBL7123957 0.84 NPC1 (0.80) MAOBNPC1MAPTKDM4EALDH1A1
SCHEMBL6276172 0.83 NQO1 (0.73) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL5142288 0.82 MAOB (0.65) MAOBNPC1NQO1MAPTKDM4E
SCHEMBL7117813 0.82 ALDH1A1 (0.64) MAOBNPC1MAPTKDM4EALDH1A1
SCHEMBL8087605 0.81 NQO1 (0.69) MAOBNPC1NQO1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAOB 1213/4885NPC1 362/4885NQO1 146/4885

“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.