SCHEMBL19003439

SCHEMBL19003439

CNc1ccc(-c2cc3ccccc3oc2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
RAB9A P51151 6/20 0.69
KDM4E B2RXH2 6/20 0.69
MAOB P27338 4/20 0.69
SMN1; SMN2 Q16637 6/20 0.66
NPC1 O15118 5/20 0.66
HPGD P15428 6/20 0.66
NCOA1 Q15788 2/20 0.66
GAPDH P04406 2/20 0.66
GAA P10253 2/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
ESR1 P03372 1/20 0.66
ESR2 Q92731 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 2/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 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
SCHEMBL12387899 0.84 ALDH1A1 (0.69) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL13757027 0.83 ALDH1A1 (0.61) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL13757025 0.83 ALDH1A1 (0.75) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL14389070 0.83 MAOB (0.75) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL13757026 0.83 ALDH1A1 (0.67) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL8934577 0.83 ALDH1A1 (0.68) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL177366 0.82 RAB9A (1.00) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL30356319 0.82 RAB9A (1.00) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL4992894 0.81 MAOB (0.55) KDM4EMAOBGAPDHMAPTMEN1
SCHEMBL4987026 0.81 MAOB (0.55) ALDH1A1RAB9AKDM4EMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US 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-20170176469-A1 Molecular Probes for Detecting Lipids CASE WESTERN UNIVERSITY 2017-06-22 US 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-11382991-B2 Molecular probes for imaging of myelin MAG, MYT1, PMP22 ALDH1A1 3088/4885RAB9A 2852/4885KDM4E 2693/4885

“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.