SCHEMBL22472834

SCHEMBL22472834

CC(C)(C)OC(=O)NC1COc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MALT1 Q9UDY8 2/20 0.52
MAPT P10636 2/20 0.51
MTNR1A P48039 1/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL28149607 0.87 MALT1 (0.58) TP53LMNAPOLBMALT1MAPT
SCHEMBL31694392 0.84 EPHX2 (0.69) EPHX2LMNAMAPTMTNR1AKMT2A
SCHEMBL173219 0.84 EPHX2 (0.69) EPHX2LMNAMAPTMTNR1AKMT2A
SCHEMBL19003837 0.83 ESR1 (0.47) EPHX2TP53LMNAPOLBMALT1
SCHEMBL13213549 0.83 ESR1 (0.47) EPHX2TP53LMNAPOLBMALT1
SCHEMBL27904456 0.82 MTNR1A (0.63) TP53LMNAPOLBMALT1MAPT
SCHEMBL27904454 0.82 MTNR1A (0.63) TP53LMNAPOLBMALT1MAPT
Tert-Butyl Formate SCHEMBL28149613 0.82 TP53 (0.49) EPHX2TP53LMNAPOLBMALT1
SCHEMBL17478422 0.82 EPHX2 (0.45) EPHX2TP53LMNAPOLBMALT1
SCHEMBL17478347 0.82 MALT1 (0.46) EPHX2TP53LMNAPOLBMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 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 (4 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA EPHX2 417/4885TP53 2938/4885LMNA 1763/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 EPHX2 545/4885TP53 2960/4885LMNA 2043/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 EPHX2 475/4885TP53 3092/4885LMNA 1785/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 EPHX2 545/4885TP53 2960/4885LMNA 2043/4885

“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.