SCHEMBL1627832

SCHEMBL1627832

COc1cccc(-c2oc3cc(OC)ccc3c(=O)c2OC)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.82
CYP3A4 P08684 5/20 0.82
HPGD P15428 5/20 0.82
ALDH1A1 P00352 5/20 0.82
MAPT P10636 5/20 0.82
HSD17B10 Q99714 4/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
THRB P10828 1/20 0.82
ABCG2 Q9UNQ0 5/20 0.73
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 3/20 0.66
CYP2D6 P10635 2/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
TP53 P04637 3/20 0.63
MAPK1 P28482 2/20 0.63
ALOX12 P18054 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
USP2 O75604 1/20 0.61

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
3,7-Dimethoxyflavone SCHEMBL4278796 0.90 ALDH1A1 (1.00) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL4649960 0.90 KDM4E (0.76) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL14146407 0.89 KDM4E (0.82) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL5139273 0.85 CYP3A4 (0.81) KDM4ECYP3A4HPGDALDH1A1MAPT
Fisetin Tetramethyl Ether SCHEMBL7116147 0.84 ABCG2 (1.00) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL7119192 0.84 ABCG2 (0.81) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL25197634 0.83 CYP3A4 (0.72) KDM4ECYP3A4HPGDALDH1A1MAPT
SCHEMBL17786517 0.82 MAPT (0.67) KDM4ECYP3A4HPGDALDH1A1MAPT
Bromide SCHEMBL11489117 0.81 PLG (0.74) KDM4ECYP3A4HPGDALDH1A1MAPT
Demethoxykanugin SCHEMBL13582763 0.80 CYP3A4 (0.78) KDM4ECYP3A4HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 EP disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
EP-2247558-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Siemens Medical Solutions USA, Inc. (US) 2010-11-10 EP disclosed
WO-2009102498-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-08-20 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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 KDM4E 4183/4885CYP3A4 1088/4885HPGD 1897/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO KDM4E 4258/4885CYP3A4 1289/4885HPGD 1948/4885

“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.