SCHEMBL2601664

SCHEMBL2601664

C#Cc1ccc(OCCC[18F])cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 12/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19995157 0.89 APP (0.47) APPALDH1A1
SCHEMBL38655982 0.85 KCNA3 (0.48) L3MBTL1GAA
SCHEMBL20969950 0.84 PRSS1 (0.41) APPMAPTALDH1A1
SCHEMBL21115244 0.82 APP (0.63) APP
SCHEMBL1007565 0.81 LTA4H (0.53) GAASMN1; SMN2
SCHEMBL4070878 0.81 KCNA3 (0.39) MAPTL3MBTL1
SCHEMBL25230809 0.79 ALDH1A1 (0.43) APPL3MBTL1GAAALDH1A1
SCHEMBL20766346 0.79 HRH3 (0.53) MAPTALDH1A1
SCHEMBL15977888 0.79 KCNA3 (0.38) L3MBTL1
SCHEMBL949228 0.78 NR5A1 (0.58) MAPTL3MBTL1KDM4EGAAALDH1A1

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-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 — — US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 — — 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 APP 320/4885MEN1 231/4885KMT2A 2156/4885

“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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