SCHEMBL5067694

SCHEMBL5067694

CCOC(=O)C[C@H](C)c1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
F2 P00734 2/20 0.45
F10 P00742 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL5067688 1.00 CYP4F2 (0.45) CYP4F2CYP4A11F2F10ALDH1A1
SCHEMBL5067689 1.00 CYP4F2 (0.45) CYP4F2CYP4A11F2F10ALDH1A1
SCHEMBL21199716 0.89 F2 (0.46) CYP4F2CYP4A11F2F10ALDH1A1
SCHEMBL22335797 0.88 CYP4F2 (0.62) CYP4F2CYP4A11F2F10ALDH1A1
SCHEMBL12883167 0.85 ACHE (0.59) F2F10ALDH1A1KDM4EHTT
SCHEMBL21199753 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL12883163 0.85 ACHE (0.59) F2F10ALDH1A1KDM4EHTT
SCHEMBL12883164 0.85 ACHE (0.59) F2F10ALDH1A1KDM4EHTT
SCHEMBL5065563 0.83 RAB9A (0.44) CYP4F2CYP4A11ALDH1A1HTTMEN1
SCHEMBL5065619 0.83 RAB9A (0.44) CYP4F2CYP4A11ALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 CYP4F2 2594/4885CYP4A11 1072/4885F2 1254/4885

“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.