SCHEMBL23970600

SCHEMBL23970600

CC(C)(C)OC(=O)c1ccccc1CCCCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC16A3 O15427 5/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KMT2A Q03164 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
NR1H2 P55055 2/20 0.36
RXRA P19793 1/20 0.36
NR1H3 Q13133 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL9720220 0.98 ALDH1A1 (0.44) ALDH1A1LMNADHODHTDP1SLC16A3
SCHEMBL28805247 0.85 TSHR (0.46) ALDH1A1LMNATDP1KMT2ASCN1A
SCHEMBL14333036 0.85 CYP4F2 (0.38) ALDH1A1DHODHTDP1CYP4F2CYP4A11
SCHEMBL23971381 0.85 CYP4F2 (0.38) TDP1CYP4F2CYP4A11ADRA1AADRA1B
SCHEMBL2655008 0.83 ALDH1A1 (0.62) ALDH1A1LMNADHODHSLC16A3CYP4F2
SCHEMBL5253878 0.83 ALDH1A1 (0.62) ALDH1A1LMNADHODHSLC16A3CYP4F2
SCHEMBL3554041 0.81 ALDH1A1 (0.64) ALDH1A1LMNADHODHCYP4F2CYP4A11
SCHEMBL3499475 0.81 LMNA (0.44) ALDH1A1LMNATDP1CYP4F2CYP4A11
SCHEMBL23970754 0.81 TDP1 (0.36) ALDH1A1TDP1CYP4F2CYP4A11ADRA1A
SCHEMBL30159052 0.81 TDP1 (0.36) ALDH1A1TDP1CYP4F2CYP4A11ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
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
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
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 (2 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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 ALDH1A1 2537/4885LMNA 2684/4885DHODH 647/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 ALDH1A1 2537/4885LMNA 2684/4885DHODH 647/4885

“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.