SCHEMBL20161171

SCHEMBL20161171

CC1(C)OB(c2ccc(-c3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c3-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc(-c6ccccc6)cc54)cc3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.47
LPL P06858 7/20 0.47
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 1/20 0.34
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HSD11B1 P28845 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK14 Q16539 2/20 0.31
TSPO P30536 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL22143468 0.91 LIPG (0.55) LIPGLPLKDM4EATML3MBTL1
SCHEMBL15305893 0.90 LIPG (0.49) LIPGLPLKDM4EATML3MBTL1
SCHEMBL21157799 0.88 LIPG (0.58) LIPGLPLKDM4EATML3MBTL1
SCHEMBL21974388 0.88 LIPG (0.58) LIPGLPLKDM4EATML3MBTL1
SCHEMBL16225068 0.87 LIPG (0.52) LIPGLPLKDM4EATML3MBTL1
SCHEMBL12415371 0.87 LIPG (0.56) LIPGLPLKDM4EATML3MBTL1
SCHEMBL29848429 0.87 LIPG (0.56) LIPGLPLKDM4EATML3MBTL1
SCHEMBL24639795 0.87 LIPG (0.56) LIPGLPLKDM4EATML3MBTL1
SCHEMBL21795304 0.85 LIPG (0.54) LIPGLPLKDM4EATML3MBTL1
SCHEMBL16666064 0.85 LIPG (0.54) LIPGLPLKDM4EATML3MBTL1

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 3991/4885KDM4E 2457/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 LIPG 1743/4885LPL 3991/4885KDM4E 2457/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 LIPG 1743/4885LPL 3991/4885KDM4E 2457/4885

“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.