SCHEMBL2202685

SCHEMBL2202685

Nc1ccc(/C=C/c2ccc(I)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
APP P05067 5/20 0.58
MAPT P10636 3/20 0.50
NQO2 P16083 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL2202686 1.00 CYP19A1 (0.61) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL9680840 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL10459178 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL699782 0.86 APP (0.64) CYP19A1MAOAMAOBAPP
SCHEMBL9680836 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL7646748 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL699783 0.86 APP (0.64) CYP19A1MAOAMAOBAPP
SCHEMBL11244660 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL65443 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT
SCHEMBL65444 0.86 CYP19A1 (0.78) CYP19A1MAOAMAOBAPPMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226264-A1 HYPERBRANCHED POLYPHENYL AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州大学 2023-11-30 WO disclosed
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US disclosed
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US disclosed
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY 2018-11-29 US disclosed
EP-2910945-B1 Molecular probes for imaging of myelin UNIV CASE WESTERN RESERVE (US) 2018-07-18 EP disclosed
EP-2910945-B1 Molecular probes for imaging of myelin UNIV CASE WESTERN RESERVE (US) 2018-07-18 EP disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
US-20170176469-A1 Molecular Probes for Detecting Lipids CASE WESTERN UNIVERSITY 2017-06-22 US disclosed
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-20 US disclosed
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-20 US disclosed
US-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-20 US disclosed
WO-2013126898-A1 MOLECULAR PROBES FOR DETECTING LIPIDS CASE WESTERN RESERVE UNIVERSITY (US) 2013-08-29 WO disclosed
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN WANG YANMING 2011-08-04 US disclosed
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN WANG YANMING 2011-08-04 US disclosed
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN WANG YANMING 2011-08-04 US disclosed
EP-2344877-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN Case Western Reserve University (US) 2011-07-20 EP disclosed
WO-2010039815-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2010-04-08 WO disclosed
WO-2010039815-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2010-04-08 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 (4 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-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION MAG, FABP7, PMP22 CYP19A1 3731/4885MAOA 4823/4885MAOB 3390/4885
US-20110189090-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885
US-11382991-B2 Molecular probes for imaging of myelin MAG, MYT1, PMP22 CYP19A1 4876/4885MAOA 4725/4885MAOB 2851/4885

“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.