SCHEMBL23971122

SCHEMBL23971122

CC(C)(CCCCCC(=O)O)COC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 2/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 1/20 0.33
KDM5A P29375 3/20 0.32
PHF8 Q9UPP1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
KDM4C Q9H3R0 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL6469034 0.99 MEN1 (0.41) MEN1KMT2ATBXAS1FFAR1CPT2
SCHEMBL23971130 0.87 MEN1 (0.39) MEN1KMT2ALMNA
SCHEMBL6468977 0.85 MEN1 (0.41) MEN1KMT2ALMNA
SCHEMBL6468901 0.84 MEN1 (0.39) MEN1KMT2ALMNA
SCHEMBL6259155 0.83 MEN1 (0.38) MEN1KMT2A
SCHEMBL6259741 0.83 MEN1 (0.39) MEN1KMT2ATDP1ALDH1A1KDM4C
SCHEMBL6256558 0.82 MEN1 (0.36) MEN1KMT2AKDM4C
SCHEMBL3044566 0.82 MEN1 (0.37) MEN1KMT2AKDM4CTSHR
SCHEMBL5118077 0.82 MEN1 (0.59) MEN1KMT2AALDH1A1EPHX1KDM5A
SCHEMBL4100095 0.82 MEN1 (0.59) MEN1KMT2AALDH1A1EPHX1KDM5A

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 1652/4885TBXAS1 1124/4885

“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.