SCHEMBL5084955

SCHEMBL5084955

Cc1c(-c2cccc(Br)c2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.74
NPC1 O15118 1/20 0.60
ESR1 P03372 5/20 0.59
ESR2 Q92731 4/20 0.59
HSD17B3 P37058 6/20 0.58
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
CA12 O43570 1/20 0.47

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
SCHEMBL7113502 0.85 ERAP1 (0.75) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL1608015 0.85 ERAP1 (1.00) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL5088627 0.82 ERAP1 (0.83) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL7127360 0.77 ERAP1 (0.75) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL4798266 0.77 ERAP1 (0.75) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL7171596 0.77 HSD17B3 (0.69) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL2553278 0.76 HSD17B3 (0.75) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL5423355 0.76 NPC1 (0.73) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL31366988 0.75 HSD17B3 (1.00) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL591899 0.75 HSD17B3 (1.00) ERAP1NPC1ESR1ESR2HSD17B3

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 2 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

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 362/4885ESR1 258/4885

“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.