SCHEMBL378414

SCHEMBL378414

CC(C)Oc1cc(OC(C)C)c(C(=O)O)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
XDH P47989 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 3/20 0.35
KMO O15229 2/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
BAK1 Q16611 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 1/20 0.33

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
SCHEMBL378043 0.88 IRAK4 (0.44) TLR8IRAK4ALDH1A1
SCHEMBL378132 0.85 ULK1 (0.37) TLR8IRAK4ALDH1A1
SCHEMBL348729 0.83 XDH (0.38) IRAK4XDHALDH1A1MCL1KMO
SCHEMBL10352686 0.78 RXRA (0.37) IRAK4XDHALDH1A1MCL1KMO
SCHEMBL146668 0.76 LMNA (0.45) ALDH1A1
SCHEMBL347019 0.75 IRAK4 (0.44) IRAK4BTK
SCHEMBL2656280 0.72 KMT2A (0.52) XDHALDH1A1MCL1KMT2A
SCHEMBL346514 0.72 IRAK4 (0.35) IRAK4XDHALDH1A1KMOKMT2A
SCHEMBL146009 0.71 ULK1 (0.47) IRAK4ALDH1A1MCL1BCL2BCL2L1
SCHEMBL1680783 0.71 ALDH1A1 (0.49) IRAK4XDHALDH1A1MCL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 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 (8 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TLR8 531/4885IRAK4 90/4885XDH 2601/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TLR8 488/4885IRAK4 78/4885XDH 2788/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 TLR8 1490/4885IRAK4 1001/4885XDH 2936/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TLR8 531/4885IRAK4 90/4885XDH 2601/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TLR8 531/4885IRAK4 90/4885XDH 2601/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TLR8 531/4885IRAK4 90/4885XDH 2601/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TLR8 488/4885IRAK4 78/4885XDH 2788/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TLR8 488/4885IRAK4 78/4885XDH 2788/4885

“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.