SCHEMBL20161070

SCHEMBL20161070

CC1(C)OB(c2ccc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3-c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.52
LPL P06858 12/20 0.52
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
P4HB P07237 1/20 0.34
DGAT1 O75907 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL20160928 0.92 LIPG (0.59) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL20161069 0.92 LIPG (0.59) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL20161071 0.87 LIPG (0.54) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL21416066 0.79 LIPG (0.51) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL21624614 0.78 LIPG (0.74) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL21416280 0.77 LIPG (0.77) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL1509154 0.77 LIPG (0.77) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL22143468 0.76 LIPG (0.55) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL1961140 0.76 LIPG (0.61) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL20161053 0.76 ALDH1A1 (0.40)

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.