SCHEMBL12315468

SCHEMBL12315468

CC1(C[18F])C=Cc2cc(C(=O)Cc3ccc(C(C)(C)C)cc3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ CYP26A1 O43174 1/20 0.38
▸ CYP26B1 Q9NR63 1/20 0.38
▸ COXFA4 O00483 1/20 0.36
▸ NR1H4 Q96RI1 5/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ESRRG P62508 2/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ESRRB O95718 1/20 0.33

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
SCHEMBL13071766 1.00 PTGS1 (0.40) PTGS1PTGS2XDHBACE1CYP26A1
SCHEMBL14666129 0.79 COXFA4 (0.48) PTGS1PTGS2XDHBACE1COXFA4
SCHEMBL12315606 0.76 COXFA4 (0.52) COXFA4LMNAMAPTHIF1A
SCHEMBL12315464 0.76 PTGS1 (0.39) PTGS1PTGS2XDHNPC1RAB9A
SCHEMBL12315601 0.72 COXFA4 (0.41) BACE1COXFA4ACHEHIF1AALDH1A1
SCHEMBL12315474 0.71 HIF1A (0.47) XDHNR1H4EPHX2HIF1AALDH1A1
SCHEMBL12315469 0.71 COXFA4 (0.66) COXFA4MAPTNPC1RAB9AHIF1A
SCHEMBL22599745 0.70 MAPT (0.59) NR1H4EPHX2SMN1; SMN2LMNAMAPT
SCHEMBL16694415 0.67 HIF1A (0.66) COXFA4LMNANPC1HIF1A
SCHEMBL12315472 0.67 HIF1A (0.44) COXFA4NR1H4SMN1; SMN2MAPTACHE

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 PTGS1 713/4885PTGS2 2745/4885XDH 4704/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PTGS1 713/4885PTGS2 2745/4885XDH 4704/4885

“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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