SCHEMBL4400352

SCHEMBL4400352

O=C1C/C(=C\c2ccc(OCCF)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
MAOA P21397 4/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CISD1 Q9NZ45 1/20 0.38
SERPINE1 P05121 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL4401889 0.87 MAPT (0.53) MAOBMAOAACHEBCHEPIM1
SCHEMBL4427728 0.82 MAPT (0.43) MAOBMAOAACHEBCHEPIM1
SCHEMBL9049784 0.79 DYRK1A (0.59) MAOBACHEPIM1PIM2KDM4E
SCHEMBL9049778 0.79 DYRK1A (0.59) MAOBACHEPIM1PIM2KDM4E
SCHEMBL6660533 0.74 CYP1A2 (0.53) MAOBMAOAHPGDKDM4EMAPT
SCHEMBL9047840 0.74 CYP1A2 (0.53) MAOBMAOAHPGDKDM4EMAPT
SCHEMBL7399707 0.74 CYP1A2 (0.53) MAOBMAOAHPGDKDM4EMAPT
SCHEMBL9049098 0.73 KMT2A (0.51) MAOBMAOAACHEPIM1PIM2
SCHEMBL9047782 0.73 AKR1C3 (0.50) MAOBMAOAACHEPIM1PIM2
SCHEMBL9049105 0.73 KMT2A (0.51) MAOBMAOAACHEPIM1PIM2

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-20120107239-A1 Precursor of Molecular Probe for Pancreatic Islet Imaging and Use of the Same ARKRAY, INC. (JP) 2012-05-03 US disclosed
US-20120107239-A1 Precursor of Molecular Probe for Pancreatic Islet Imaging and Use of the Same ARKRAY, INC. (JP) 2012-05-03 US disclosed
EP-2407455-A1 MOLECULAR PROBE PRECURSOR FOR PANCREATIC ISLET IMAGING AND USE OF SAME Kyoto University (JP) 2012-01-18 EP 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-20120107239-A1 Precursor of Molecular Probe for Pancreatic Islet Imaging and Use of the Same OGFRL1, OXSR1, IAPP MAOB 1056/4885MAOA 2635/4885ACHE 3466/4885

“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.