SCHEMBL4842741

SCHEMBL4842741

COC(=O)OCC=Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.49
NOS3 P29474 5/20 0.49
NOS1 P29475 5/20 0.49
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
HPGD P15428 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4842721 1.00 NOS2 (0.49) NOS2NOS3NOS1LMNAPOLB
SCHEMBL28469490 0.90 HSD11B1 (0.50) NOS2NOS3NOS1LMNAPOLB
SCHEMBL28456436 0.85 GRIK1 (0.44) LMNAKMT2AGRIK1GRIK2TP53
SCHEMBL3297767 0.84 GSK3B (0.58) LMNAGRIK1GRIK2CYP1A2MAPT
SCHEMBL28875467 0.84 GRIK1 (0.44) LMNAMEN1KMT2AGRIK1GRIK2
SCHEMBL28811909 0.84 GRIK1 (0.44) LMNAMEN1KMT2AGRIK1GRIK2
SCHEMBL3292230 0.84 GSK3B (0.58) LMNAGRIK1GRIK2CYP1A2MAPT
SCHEMBL28365008 0.84 PTGS2 (0.50) NOS2NOS3NOS1LMNAMEN1
SCHEMBL28311588 0.84 PTGS2 (0.50) NOS2NOS3NOS1LMNAMEN1
SCHEMBL15457003 0.84 CYP19A1 (0.42) LMNAPOLBMEN1KMT2AGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689887-B Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof 武汉大学 2022-04-01 CN disclosed
CN-114105822-A Pseudo C2Symmetrical chiral diallyl substituted compound and preparation method and application thereof 武汉大学 2022-03-01 CN disclosed
CN-112279770-A Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof 武汉大学 2021-01-29 CN disclosed
CN-111689887-A Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof 武汉大学 2020-09-22 CN disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 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 (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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP NOS2 2607/4885NOS3 2840/4885NOS1 1882/4885

“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.