SCHEMBL18774627

SCHEMBL18774627

CC(C)(C)[Si](C)(C)O[C@@H]1CCCC(n2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MET P08581 2/20 0.31
▸ ACHE P22303 1/20 0.30

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
SCHEMBL17199516 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL18774628 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL18761863 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL17199453 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL18761949 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL18781533 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL18781521 1.00 POLB (0.32) POLBL3MBTL1METACHE
SCHEMBL25204744 0.90 POLB (0.33) POLBMET
SCHEMBL18387559 0.78 ALDH1A1 (0.39) —
SCHEMBL16974776 0.78 ACHE (0.42) L3MBTL1ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 — — 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-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 POLB 2622/4885L3MBTL1 3552/4885MET 624/4885

“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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