SCHEMBL6080872

SCHEMBL6080872

COc1cc(C=O)cc2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
PIM1 P11309 4/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 1/20 0.38
PKM P14618 2/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL6080394 0.88 PIM1 (0.42) GPR35ALDH1A1TDP1HPGDPIM1
SCHEMBL6080307 0.84 GPR35 (0.43) GPR35TDP1HPGDPIM1MEN1
SCHEMBL6080302 0.84 GPR35 (0.44) GPR35ALDH1A1PIM1CYP3A4KDM4E
SCHEMBL6081157 0.82 GPR35 (0.43) GPR35ALDH1A1TDP1PIM1MEN1
SCHEMBL6080176 0.82 GPR35 (0.43) GPR35ALDH1A1PIM1MAPTPKM
SCHEMBL6081306 0.79 PDE10A (0.45) GPR35ALDH1A1HPGDKDM4EERN1
SCHEMBL6081017 0.78 GPR35 (0.39) GPR35ALDH1A1KDM4EPKMCA12
SCHEMBL6080863 0.77 PRKAG1 (0.47) GPR35ALDH1A1HPGDKDM4EMAPK1
SCHEMBL6597503 0.76 GPR35 (0.49) GPR35ALDH1A1TDP1TRIM24HPGD
SCHEMBL6080920 0.76 PDE10A (0.50) GPR35ALDH1A1HPGDMEN1MAPT

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 GPR35 1071/4885ALDH1A1 2726/4885TDP1 2264/4885

“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.