SCHEMBL17714005

SCHEMBL17714005

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.45
HCRTR2 O43614 5/20 0.41
AKT1 P31749 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NR1H3 Q13133 1/20 0.37
ACHE P22303 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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
SCHEMBL17714002 0.87 AKT1 (0.43) NR1D1AKT1KDM4EALDH1A1TSHR
SCHEMBL17714029 0.86 AKT1 (0.45) NR1D1AKT1KDM4EALDH1A1TSHR
SCHEMBL7570965 0.86 AKT1 (0.50) NR1D1AKT1TSHRNR1H3CTSL
SCHEMBL7562431 0.84 AKT1 (0.49) NR1D1AKT1TSHRNR1H3CTSL
SCHEMBL17713996 0.83 HCRTR2 (0.42) HCRTR2KDM4EALDH1A1TSHRACHE
SCHEMBL17714014 0.83 ITGA4 (0.56) NR1D1ALDH1A1NR1H3CTSB
SCHEMBL23130693 0.83 AKT1 (0.50) NR1D1AKT1TSHRNR1H3CTSL
SCHEMBL8018235 0.83 AKT1 (0.50) NR1D1AKT1TSHRNR1H3CTSL
SCHEMBL30915258 0.83 AKT1 (0.50) NR1D1AKT1TSHRNR1H3CTSL
SCHEMBL25539127 0.81 AKT1 (0.48) NR1D1AKT1TSHRNR1H3ACHE

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-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules KATHOLIEKE UNIVERSITET LEUVEN (BE) 2022-08-23 US disclosed
EP-3212610-B1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES UNIV LEUVEN KATH (BE) 2020-10-28 EP disclosed
US-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-09-27 US disclosed
EP-3212610-A2 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES Katholieke Universiteit Leuven (BE) 2017-09-06 EP disclosed
WO-2016065435-A2 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-06 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 (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-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES H1-3, H1-0, H1-2 NR1D1 3515/4885HCRTR2 4676/4885AKT1 4264/4885
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules H1-3, H1-0, H1-2 NR1D1 3528/4885HCRTR2 4674/4885AKT1 4254/4885

“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.