SCHEMBL12873309

SCHEMBL12873309

COCC(COC(=O)CCc1ccccc1)OC(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.48
APP P05067 1/20 0.47
FAAH O00519 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 1/20 0.46
MGLL Q99685 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL12873308 0.85 TDP1 (0.64) TDP1ALOX5MAPTAPPALDH1A1
Glycerol Phenylbutyrate SCHEMBL10102804 0.84 ADRB2 (0.56) TDP1ALOX5FAAHALDH1A1TLR2
SCHEMBL9463943 0.83 TDP1 (0.57) TDP1ALOX5MAPTAPPALDH1A1
SCHEMBL21618421 0.82 TDP1 (0.55) TDP1ALOX5MAPTAPPFAAH
SCHEMBL1892709 0.81 ALDH1A1 (0.56) ALOX5FAAHALDH1A1TLR2MGLL
SCHEMBL3784212 0.81 ALDH1A1 (0.56) ALOX5FAAHALDH1A1TLR2MGLL
SCHEMBL15061844 0.80 MGLL (0.61) TDP1ALOX5FAAHTLR2MGLL
SCHEMBL27516564 0.80 TDP1 (0.82) TDP1ALOX5MAPTAPPALDH1A1
SCHEMBL19301017 0.79 ALDH1A1 (0.61) ALDH1A1TLR2LMNA
SCHEMBL30547113 0.79 TDP1 (0.64) TDP1ALOX5MAPTAPPALDH1A1

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-7887835-B2 for vascular lesion imaging and for diagnosing arteriosclerosis, ischemia with X-ray angiography and positron emission tomography; fluorinated steroid ester, glyceride compounds, phosphatidylcholine, and phosphatidylserine as membrane components of liposome FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound FUJIFILM CORPORATION (JP) 2008-06-12 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-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound PHOSPHO1, SGMS1, SGMS2 TDP1 4328/4885ALOX5 117/4885MAPT 3322/4885

“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.