SCHEMBL15562148

SCHEMBL15562148

CC(OS(C)(=O)=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KEAP1 Q14145 1/20 0.42
SLC6A4 P31645 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
AOC3 Q16853 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL9401933 0.85 CYP2C9 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL9740708 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL11672371 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
Ammonia Solution, Strong SCHEMBL28352063 0.80 CYP2C9 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL6492647 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1
SCHEMBL17184098 0.79 ALDH1A1 (0.43) ALDH1A1KEAP1
SCHEMBL6248166 0.77 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL6656867 0.77 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16685290 0.77 ESR1 (0.45) ALDH1A1SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL18042368 0.77 ESR1 (0.45) ALDH1A1SLC6A4ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856182-B2 Radiofluorination method TECHNICAL UNIVERSITY OF DENMARK (DK) 2018-01-02 US disclosed
EP-2880005-B1 RADIOFLUORINATION METHOD UNIV DENMARK TECH DTU (DK) 2016-05-25 EP disclosed
US-20150299066-A1 RADIOFLUORINATION METHOD TECHNICAL UNIVERSITY OF DENMARK (DK) 2015-10-22 US disclosed
EP-2880005-A1 RADIOFLUORINATION METHOD Technical University of Denmark (DK) 2015-06-10 EP disclosed
WO-2014020035-A1 RADIOFLUORINATION METHOD TECHNICAL UNIVERSITY OF DENMARK (DK) 2014-02-06 WO 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-20150299066-A1 RADIOFLUORINATION METHOD PFAS, PHOSPHO1, ARFGEF1 ALDH1A1 4335/4885CYP1A2 3014/4885CYP2C9 2708/4885

“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.