SCHEMBL5085541

SCHEMBL5085541

Cc1c(-c2ccc(O)cc2)c(=O)oc2c(Cl)cc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.47
NPC1 O15118 1/20 0.46
ESR2 Q92731 7/20 0.45
ESR1 P03372 5/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL12813584 0.91 ESR2 (0.42) ERAP1NPC1ESR2ESR1KDM4E
SCHEMBL5427855 0.83 ERAP1 (0.48) ERAP1NPC1ESR2ESR1MAOA
SCHEMBL7123949 0.82 CSNK2A2 (0.40) ERAP1NPC1ESR2ESR1KDM4E
SCHEMBL7117856 0.77 TP53 (0.44) ERAP1NPC1ESR2ESR1MAOB
SCHEMBL21801314 0.76 CSNK2A2 (0.56) NPC1ESR2ESR1MAOAMAOB
SCHEMBL3067421 0.73 ERAP1 (0.52) ERAP1NPC1KDM4EALDH1A1HPGD
SCHEMBL7113502 0.73 ERAP1 (0.75) ERAP1NPC1ESR2ESR1MAOA
SCHEMBL5161656 0.73 ERAP1 (0.59) ERAP1NPC1ESR2ESR1MAOA
SCHEMBL5424524 0.73 ERAP1 (0.56) ERAP1NPC1ESR2ESR1MAOA
SCHEMBL28538686 0.72 ERAP1 (0.51) ERAP1NPC1ESR2ESR1MAOB

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 ERAP1 2734/4885NPC1 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.