SCHEMBL6080957

SCHEMBL6080957

COc1cccc2c(C)c(C)c(C(=O)O)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDK9 P50750 1/20 0.47
DYRK1A Q13627 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL6080920 0.88 PDE10A (0.50) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6081023 0.87 KDM4E (0.52) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6081016 0.85 PDE10A (0.56) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6079727 0.82 ADORA2A (0.48) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6080253 0.82 KDM4E (0.46) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6080975 0.81 TNKS (0.51) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL17966023 0.78 ADORA2A (0.61) ADORA2A
SCHEMBL6079920 0.76 HPGDS (0.47) PDE10AKDM4EALDH1A1HPGDMEN1
Benzene SCHEMBL6594689 0.75 PDE10A (0.46) PDE10AKDM4EALDH1A1HPGDMEN1
SCHEMBL6596151 0.75 GPR35 (0.56) PDE10AKDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL PDE10A 702/4885KDM4E 1006/4885ALDH1A1 2726/4885

“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.