SCHEMBL20161048

SCHEMBL20161048

CC1(C)OB(c2ccc(-c3c(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-n7c8ccccc8c8ccc9c(c87)C7(c8ccccc8-c8ccccc87)c7ccccc7-9)cc6)c5-c5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccc6c(c54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.42
LPL P06858 6/20 0.42
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL20160831 1.00 LIPG (0.42) LIPGLPLKEAP1NFE2L2
SCHEMBL20161047 1.00 LIPG (0.42) LIPGLPLKEAP1NFE2L2
SCHEMBL17034667 0.83 L3MBTL1 (0.39)
SCHEMBL20161202 0.82 MDM2 (0.37) KEAP1NFE2L2
SCHEMBL20161201 0.82 MDM2 (0.37) KEAP1NFE2L2
SCHEMBL20160997 0.82 MDM2 (0.37) KEAP1NFE2L2
SCHEMBL22143519 0.82 LIPG (0.43) LIPGLPLKEAP1NFE2L2
SCHEMBL20161077 0.81 LIPG (0.48) LIPGLPLKEAP1NFE2L2
SCHEMBL22143526 0.81 DUSP3 (0.34)
SCHEMBL20161057 0.81 DUSP3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018087346-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2018-05-17 WO 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 (3 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 LIPG 1743/4885LPL 3991/4885KEAP1 484/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 LIPG 1743/4885LPL 3991/4885KEAP1 484/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 LIPG 1743/4885LPL 3991/4885KEAP1 484/4885

“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.