SCHEMBL17714014

SCHEMBL17714014

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 6/20 0.56
ITGB7 P26010 6/20 0.56
NR1D1 P20393 5/20 0.52
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NR1H3 Q13133 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSB P07858 1/20 0.43
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL17713993 0.85 ALDH1A1 (0.52) ITGA4ITGB7ALDH1A1LMNACYP1A2
SCHEMBL17714002 0.84 AKT1 (0.43) NR1D1ALDH1A1NR1H3CTSBTDP1
SCHEMBL17714005 0.83 NR1D1 (0.45) NR1D1ALDH1A1NR1H3CTSB
Trifluoroacetic Acid SCHEMBL17713998 0.81 ALDH1A1 (0.46) ITGA4ITGB7ALDH1A1LMNACYP1A2
SCHEMBL17714029 0.80 AKT1 (0.45) ITGA4ITGB7NR1D1ALDH1A1NR1H3
SCHEMBL7570965 0.80 AKT1 (0.50) NR1D1LMNANR1H3CYP2D6CYP2C19
SCHEMBL30915258 0.80 AKT1 (0.50) NR1D1LMNANR1H3CYP2D6CYP2C19
SCHEMBL7562431 0.78 AKT1 (0.49) NR1D1LMNANR1H3CYP2D6CYP2C19
SCHEMBL13014193 0.78 NR1D1 (0.66) NR1D1ALDH1A1LMNANR1H3CRHBP
SCHEMBL13014185 0.78 NR1D1 (0.66) NR1D1ALDH1A1LMNANR1H3

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 ITGA4 1426/4885ITGB7 1903/4885NR1D1 3515/4885
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules H1-3, H1-0, H1-2 ITGA4 1409/4885ITGB7 1887/4885NR1D1 3528/4885

“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.