SCHEMBL16216193

SCHEMBL16216193

CC[C@H](O)c1ccc(OCCF)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.51
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ APP P05067 4/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ TSPO P30536 1/20 0.36

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
SCHEMBL16218955 0.88 ADRA2A (0.46) PDE2AALDH1A1CA12CA1CA9
SCHEMBL10352297 0.79 FFAR1 (0.43) FFAR1FFAR4ALDH1A1TSPO
SCHEMBL23040164 0.78 PDE2A (0.48) PDE2AFFAR4
SCHEMBL29499811 0.78 PDE2A (0.48) PDE2AFFAR4
SCHEMBL10319690 0.78 FFAR1 (0.40) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL8226478 0.73 CARM1 (0.44) FFAR1FFAR4ALDH1A1CA12CA1
SCHEMBL27919461 0.72 CA12 (0.44) FFAR1FFAR4ALDH1A1APPCA12
SCHEMBL22857118 0.71 CARM1 (0.46) PDE2ACA12CA1CA9MAOB
SCHEMBL15000540 0.71 CARM1 (0.49) PDE2ACA12CA1CA9CARM1
SCHEMBL19618909 0.71 CARM1 (0.52) CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 — — US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 — — US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 — — 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PDE2A 1181/4885FFAR1 1523/4885FFAR4 1966/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PDE2A 1181/4885FFAR1 1523/4885FFAR4 1966/4885

“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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