SCHEMBL12315467

SCHEMBL12315467

CC1(C)C=Cc2cc(C(=O)OCc3ccc(C(C)(C)C)cc3)c([18F])cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.46
▸ TLR3 O15455 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HIF1A Q16665 6/20 0.39
▸ MAOB P27338 1/20 0.38
▸ ESRRG P62508 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ EPAS1 Q99814 3/20 0.35
▸ NR2F2 P24468 1/20 0.34

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
SCHEMBL13071290 1.00 COXFA4 (0.46) COXFA4TLR3TDP1ALDH1A1CYP3A4
SCHEMBL12315474 0.84 HIF1A (0.47) TLR3TDP1ALDH1A1CYP3A4HPGD
SCHEMBL12315469 0.82 COXFA4 (0.66) COXFA4TLR3TDP1ALDH1A1MEN1
SCHEMBL12315603 0.80 COXFA4 (0.57) COXFA4TLR3TDP1ALDH1A1CYP3A4
SCHEMBL13071765 0.80 COXFA4 (0.68) COXFA4TDP1ALDH1A1CYP3A4HPGD
SCHEMBL14666280 0.77 COXFA4 (0.61) COXFA4TDP1ALDH1A1CYP3A4HPGD
SCHEMBL14666188 0.67 HSP90AA1 (0.54) COXFA4TDP1ALDH1A1CYP3A4HPGD
SCHEMBL9581577 0.66 ALDH1A1 (0.43) COXFA4TDP1ALDH1A1CYP3A4HPGD
SCHEMBL12315466 0.66 COXFA4 (0.46) COXFA4TDP1ALDH1A1CYP3A4HPGD
SCHEMBL20679866 0.65 CA12 (0.59) TDP1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 — — US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 — — US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 — — US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 — — 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 (2 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885TLR3 3578/4885TDP1 2236/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885TLR3 3578/4885TDP1 2236/4885

“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.

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