SCHEMBL21475689

SCHEMBL21475689

COC(O)c1ccc(-c2nc3ccc(O)c(C=O)c3[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 10/20 0.37
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL2564176 0.80 ALDH1A1 (0.54) ERN1
SCHEMBL22840334 0.80 ERN1 (0.37) ERN1HDAC6SCD
SCHEMBL2569073 0.77 ERN1 (0.50) CHEK2ERN1
SCHEMBL14930123 0.72 ERN1 (0.58) ERN1
SCHEMBL18717318 0.71 ERN1 (0.59) ERN1
SCHEMBL14916768 0.70 ERN1 (0.51) ERN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28296530 0.68 GSK3B (0.43) ERN1
SCHEMBL14930162 0.68 ALDH1A1 (0.55) CHEK2ERN1
SCHEMBL14930122 0.68 ERN1 (0.59) ERN1
SCHEMBL22840599 0.68 LMNA (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — 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 (2 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-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 CHEK2 3829/4885CYP1A1 1871/4885CYP1A2 2509/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 CHEK2 3755/4885CYP1A1 2099/4885CYP1A2 2785/4885

“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.

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