SCHEMBL29936757

SCHEMBL29936757

NNC(=O)OCCCCO

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.52
GAA P10253 1/20 0.50
EPHX1 P07099 1/20 0.41
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11320453 0.93
SCHEMBL28254908 0.88 EPHX1 (0.50) ACHEGAAEPHX1
Ethylene Glycol SCHEMBL9551159 0.83 ACHE (0.38) ACHEGAAEPHX1
SCHEMBL720346 0.83
SCHEMBL722043 0.80 EPHX1 (0.64) ACHEEPHX1
SCHEMBL10113926 0.80 ACHE (0.41) ACHEEPHX1
SCHEMBL7185924 0.78 EPHX1 (0.38) ACHEGAAEPHX1
SCHEMBL723173 0.78 EPHX1 (0.68) ACHEEPHX1
SCHEMBL721745 0.78 EPHX1 (0.68) ACHEEPHX1
SCHEMBL18641585 0.78 EPHX1 (0.68) ACHEEPHX1

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-12240862-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2025-03-04 US disclosed
US-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2022-07-21 US 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-20220227787-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 ACHE 2955/4885GAA 526/4885EPHX1 1269/4885
US-12240862-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 ACHE 3712/4885GAA 394/4885EPHX1 1359/4885

“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.