SCHEMBL12722331

SCHEMBL12722331

Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.77
KDM4E B2RXH2 7/20 0.77
ESR1 P03372 4/20 0.67
ESR2 Q92731 2/20 0.67
HPGD P15428 6/20 0.61
HSD17B10 Q99714 4/20 0.61
GAA P10253 3/20 0.61
TP53 P04637 2/20 0.61
PPARG P37231 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA2A P29274 1/20 0.56
MAPT P10636 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 2/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL14185243 0.87 ALDH1A1 (0.75) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL5315268 0.87 ALDH1A1 (0.75) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL5266910 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EESR1HPGDHSD17B10
SCHEMBL30991582 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EESR1HPGDHSD17B10
SCHEMBL2332295 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL2946452 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EESR1HPGDHSD17B10
SCHEMBL4941071 0.83 ESR1 (0.64) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL14185242 0.82 PPARG (0.65) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL3957035 0.81 ESR1 (1.00) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL11627119 0.81 MEN1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GAA

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 10 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-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
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-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
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 ALDH1A1 3134/4885KDM4E 4183/4885ESR1 2665/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO ALDH1A1 3189/4885KDM4E 4258/4885ESR1 2563/4885

“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.