SCHEMBL23970494

SCHEMBL23970494

CC(C)(C)OC(=O)C(C)(C)OC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 2/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR2 O43614 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
SCHEMBL2074758 0.85 SLC6A3 (0.35) MEN1KMT2A
SCHEMBL10352166 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL3618302 0.81 MEN1 (0.38) MEN1KMT2A
SCHEMBL23779185 0.81 MEN1 (0.35) MEN1KMT2AEPHX1
SCHEMBL3609772 0.81 CYP4F2 (0.41) MEN1KMT2A
SCHEMBL28568866 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL46568 0.78 MEN1 (0.46) MEN1KMT2A
SCHEMBL7815756 0.76 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL4473940 0.74 MEN1 (0.33) MEN1KMT2A
SCHEMBL4386681 0.74 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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 (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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 MEN1 2517/4885KMT2A 1652/4885DGAT1 675/4885

“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.