SCHEMBL15216064

SCHEMBL15216064

CN(C)c1ccc(-c2cc3ccccc3oc2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAOB P27338 4/20 0.69
RAB9A P51151 3/20 0.69
KDM4E B2RXH2 3/20 0.69
HPGD P15428 3/20 0.66
NPC1 O15118 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GAPDH P04406 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NCOA1 Q15788 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
ESR1 P03372 1/20 0.66
GAA P10253 1/20 0.66
ESR2 Q92731 1/20 0.66
MAPT P10636 2/20 0.55
PGR P06401 4/20 0.55
ADORA3 P0DMS8 1/20 0.51
APP P05067 1/20 0.50
TNKS O95271 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL194955 0.84 NPC1 (0.62) ALDH1A1MAOBRAB9AKDM4EHPGD
Coumarin SCHEMBL28308230 0.83 RAB9A (0.62) ALDH1A1MAOBRAB9AKDM4EHPGD
SCHEMBL14389070 0.83 MAOB (0.75) ALDH1A1MAOBRAB9AKDM4EHPGD
SCHEMBL12611207 0.82 MIF (0.62) MAOBESR2MAPTPGRADORA3
SCHEMBL3136457 0.82 PGR (0.57) ALDH1A1MAOBRAB9AKDM4EHPGD
SCHEMBL30356319 0.82 RAB9A (1.00) ALDH1A1MAOBRAB9AKDM4EHPGD
SCHEMBL177366 0.82 RAB9A (1.00) ALDH1A1MAOBRAB9AKDM4EHPGD
SCHEMBL4985529 0.81 MAOB (0.55) MAOBKDM4EMAPTPGRADORA3
SCHEMBL4988885 0.81 MAOB (0.55) MAOBKDM4ENPC1GAPDHPGR
SCHEMBL13869330 0.80 CYP19A1 (0.73) ALDH1A1MAOBRAB9AKDM4EHPGD

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-20170176469-A1 Molecular Probes for Detecting Lipids CASE WESTERN UNIVERSITY 2017-06-22 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
WO-2013126898-A1 MOLECULAR PROBES FOR DETECTING LIPIDS CASE WESTERN RESERVE UNIVERSITY (US) 2013-08-29 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 (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-20140079635-A1 MOLECULAR PROBES FOR DETECTING LIPID COMPOSITION MAG, FABP7, PMP22 ALDH1A1 2831/4885MAOB 3390/4885RAB9A 3500/4885

“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.