SCHEMBL10087754

SCHEMBL10087754

CCCCCCCCC(C)(C)C(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
ELANE P08246 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
LMNA P02545 3/20 0.37
CES2 O00748 1/20 0.37
ACLY P53396 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACACB O00763 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
SCHEMBL20747669 1.00 CYP4F2 (0.53) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL12438962 1.00 CYP4F2 (0.53) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL10087756 1.00 CYP4F2 (0.53) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL10087755 1.00 CYP4F2 (0.53) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL1911430 0.98 CYP4F2 (0.50) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL1911530 0.93 CYP4F2 (0.47) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL15739098 0.89 CYP4F2 (0.49) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL20747706 0.86 MAPT (0.41) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL6892121 0.85 CYP4F2 (0.42) CYP4F2CYP4A11ELANEMAPTMEN1
SCHEMBL20747629 0.85 MAPT (0.40) CYP4F2CYP4A11MAPTMEN1KMT2A

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 3 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
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 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 (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-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CYP4F2 41/4885CYP4A11 40/4885ELANE 1422/4885

“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.