SCHEMBL23970739

SCHEMBL23970739

CC(C)(C)OC(=O)c1ccccc1OCCCCCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
PTPN11 Q06124 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 3/20 0.42
HSP90AA1 P07900 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL30159042 0.99 LMNA (0.48) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL23971030 0.99 LMNA (0.48) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL8642467 0.87 LMNA (0.65) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL28463565 0.85 ALDH1A1 (0.54) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL28020523 0.84 LMNA (0.56) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL934896 0.82 ADRB2 (0.54) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL10812457 0.81 TSHR (0.54) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL29649457 0.81 LMNA (0.69) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL24395229 0.81 LMNA (0.69) LMNAMAPTKMT2AMEN1NR1I2
SCHEMBL5481998 0.80 LMNA (0.49) LMNAMAPTKMT2AMEN1NR1I2

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 LMNA 2684/4885MAPT 3578/4885KMT2A 1652/4885

“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.