SCHEMBL6079795

SCHEMBL6079795

COc1ccccc1-c1cc(O)c2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
DHODH Q02127 3/20 0.47
GPR35 Q9HC97 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
PIK3CA P42336 1/20 0.43
ERN1 O75460 2/20 0.42
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IGFBP3 P17936 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL6080533 0.81 IGFBP3 (0.43) DHODHGPR35PIK3CAKDM4EALDH1A1
SCHEMBL6595262 0.81 ALOX15 (0.51) ALOX15DHODHGPR35PDE10AKDM4E
SCHEMBL6080080 0.80 MCL1 (0.46) DHODHKDM4EALDH1A1TDP1
SCHEMBL6079891 0.79 MCL1 (0.53) GPR35ADORA3KDM4EALDH1A1HPGD
SCHEMBL975858 0.78 ALOX15 (0.56) ALOX15GPR35PDE10AKDM4EALDH1A1
SCHEMBL4771510 0.77 ALOX15 (0.51) ALOX15DHODHGPR35ADORA3ERN1
SCHEMBL6590567 0.75 ERN1 (0.51) ALOX15DHODHGPR35ERN1
SCHEMBL6591608 0.74 MCL1 (0.51) ALOX15GPR35ERN1PDE10AKDM4E
SCHEMBL6080570 0.74 SCN9A (0.43) DHODHKDM4EIGFBP3EGLN1
SCHEMBL6080018 0.73 KMO (0.46) DHODHGPR35KDM4ETDP1EGLN1

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 ALOX15 2210/4885DHODH 188/4885GPR35 1071/4885

“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.