SCHEMBL18909533

SCHEMBL18909533

COc1ccc(-c2ccc3c(c2)OCOC3)c(C=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.55
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPRF P10586 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35

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
SCHEMBL18904673 0.81 ERN1 (0.56) ERN1PTPRF
SCHEMBL13018140 0.80 ERN1 (0.61) ERN1IDO1TDO2LMNAHPGD
SCHEMBL12766902 0.76 ERN1 (0.62) ERN1LMNAKDM4EMEN1ALDH1A1
SCHEMBL15592039 0.76 ERN1 (0.55) ERN1
SCHEMBL12766900 0.71 ERN1 (1.00) ERN1MEN1KMT2A
SCHEMBL12766888 0.70 ERN1 (0.73) ERN1TDO2KDM4EMEN1MAPT
SCHEMBL12766898 0.68 ERN1 (0.62) ERN1PTPRFTLR2TLR1TLR6
SCHEMBL12766899 0.68 ERN1 (1.00) ERN1MEN1ALDH1A1MAPTKMT2A
SCHEMBL12766901 0.68 ERN1 (1.00) ERN1KDM4EALDH1A1MAPTTLR2
SCHEMBL2590571 0.67 MGAM (0.42) ERN1HPGDKDM4EALDH1A1

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
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885IDO1 3226/4885TDO2 4601/4885

“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.