SCHEMBL2219008

SCHEMBL2219008

CCCCCCCCCCCCC(C)(C)C(=O)OCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
ELANE P08246 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMPD1 P17405 3/20 0.39
FDPS P14324 2/20 0.39
CES2 O00748 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37

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
SCHEMBL5799571 0.92 CYP4F2 (0.50) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL23218023 0.90 CYP4F2 (0.55) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL26632616 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL21060863 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL28228736 0.85 CYP4F2 (0.59) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL8249184 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL2720899 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL22748706 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL29073392 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL12819748 0.84 CYP4F2 (0.44) CYP4F2CYP4A11ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 CYP4F2 2146/4885CYP4A11 1424/4885ELANE 824/4885

“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.