SCHEMBL23970496

SCHEMBL23970496

CC(C)(C)OC(=O)C(C)(C)OCCCCCOSI

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DGAT1 O75907 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL23309276 0.80 CYP4F2 (0.58) CYP4F2CYP4A11DGAT1CA12CA1
SCHEMBL28964604 0.80 CYP4F2 (0.58) CYP4F2CYP4A11DGAT1CA12CA1
SCHEMBL22098411 0.80 CYP4F2 (0.58) CYP4F2CYP4A11DGAT1CA12CA1
SCHEMBL23971392 0.79 DGAT1 (0.31) CYP4F2CYP4A11DGAT1
SCHEMBL46332 0.75 CYP4F2 (0.53) CYP4F2CYP4A11DGAT1
SCHEMBL19599855 0.74 CES2 (0.37) CA12CA1CA2CA9
SCHEMBL19599927 0.72 CES2 (0.34)
SCHEMBL23970489 0.71 HDAC3 (0.31)
SCHEMBL20325417 0.69 EPHX2 (0.36)
SCHEMBL46780 0.68 DGAT1 (0.38) CYP4F2CYP4A11DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US 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 CYP4F2 2632/4885CYP4A11 2870/4885DGAT1 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.