SCHEMBL12873308

SCHEMBL12873308

COC(COC(=O)CCc1ccccc1)COC(=O)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 1/20 0.52
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LPAR1 Q92633 3/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
APP P05067 1/20 0.48
KEAP1 Q14145 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL12873309 0.85 TDP1 (0.61) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL9463943 0.85 TDP1 (0.57) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL3185725 0.83 TDP1 (0.68) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL9464191 0.81 TDP1 (0.70) TDP1MAPTALDH1A1LPAR1ADRB2
SCHEMBL9463994 0.81 TDP1 (0.55) TDP1MAPTALOX5ALDH1A1LPAR1
SCHEMBL21618421 0.81 TDP1 (0.55) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL30547113 0.81 TDP1 (0.64) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL12301101 0.80 TDP1 (0.72) TDP1MAPTALOX5ALDH1A1TRPV1
SCHEMBL19024791 0.79 TDP1 (0.62) TDP1MAPTALOX5ALDH1A1ADRB2
SCHEMBL29053751 0.79 TDP1 (0.66) TDP1MAPTALOX5ALDH1A1LPAR1

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 4328/4885MAPT 3322/4885ALOX5 117/4885

“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.