SCHEMBL18904673

SCHEMBL18904673

COc1ccc(-c2ccc3c(c2)CCOC3)c(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.56
PIK3CD O00329 1/20 0.38
HTR6 P50406 1/20 0.36
PTPRF P10586 1/20 0.36
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL12766902 0.84 ERN1 (0.62) ERN1TDP1
SCHEMBL18909533 0.81 ERN1 (0.55) ERN1PTPRF
SCHEMBL15592039 0.79 ERN1 (0.55) ERN1
SCHEMBL13018140 0.76 ERN1 (0.61) ERN1NPC1
SCHEMBL28136933 0.74 PTPRC (0.46) NPC1
SCHEMBL2590571 0.73 MGAM (0.42) ERN1PIK3CD
SCHEMBL12766900 0.72 ERN1 (1.00) ERN1NPC1
SCHEMBL12766888 0.70 ERN1 (0.73) ERN1PTPRFNPC1
SCHEMBL13278316 0.69 PIK3CD (0.35) ERN1PIK3CDHTR6
SCHEMBL18717000 0.69 ERN1 (0.52) ERN1PTPRFNPC1

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 3/4885PIK3CD 3340/4885HTR6 4697/4885

“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.