SCHEMBL16035693

SCHEMBL16035693

CCOCOc1cc(CO)cc(CO)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
DAO P14920 1/20 0.36
NQO1 P15559 1/20 0.34
ACHE P22303 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
MAPT P10636 1/20 0.31
FYN P06241 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.30
F2 P00734 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
SCHEMBL6156485 0.96 CYP4F2 (0.36) CYP4F2CYP4A11DAONQO1ACHE
SCHEMBL6155258 0.91 ACHE (0.32) CYP4F2CYP4A11DAOACHEGPBAR1
SCHEMBL16033984 0.84 NQO1 (0.34) NQO1MAPTALDH1A1
SCHEMBL5236102 0.83 NQO1 (0.46) CYP4F2CYP4A11DAONQO1ACHE
SCHEMBL8751920 0.80 NQO1 (0.46) NQO1LTA4HALDH1A1
SCHEMBL6155263 0.79 FFAR1 (0.34)
SCHEMBL2938664 0.79 NQO1 (0.46) CYP4F2CYP4A11NQO1ACHELTA4H
SCHEMBL16956809 0.78 NQO1 (0.41) CYP4F2CYP4A11DAONQO1ACHE
SCHEMBL24804104 0.76 BPTF (0.33) ACHEMAPTALDH1A1
SCHEMBL643648 0.75 FYN (0.40) CYP4F2CYP4A11DAOACHEGPBAR1

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-9566355-B2 Bacteria-targeted magnetic resonance contrast agents NORTHWESTERN UNIVERSITY (US) 2017-02-14 US disclosed
US-20140271490-A1 BACTERIA-TARGETED MAGNETIC RESONANCE CONTRAST AGENTS NORTHWESTERN UNIVERSITY (US) 2014-09-18 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-20140271490-A1 BACTERIA-TARGETED MAGNETIC RESONANCE CONTRAST AGENTS SLC30A6, BAZ1A, BAZ2A CYP4F2 3626/4885CYP4A11 4877/4885DAO 207/4885

“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.