SCHEMBL6080302

SCHEMBL6080302

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.44
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.37
CNR2 P34972 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6080307 0.86 GPR35 (0.43) GPR35CA2CA12CA1CA3
SCHEMBL6081157 0.86 GPR35 (0.43) GPR35CA2CA12CA1CA3
SCHEMBL6080176 0.86 GPR35 (0.43) GPR35CA2CA12CA1CA3
SCHEMBL6080872 0.84 GPR35 (0.41) GPR35CA2CA12CA1CA3
SCHEMBL6081306 0.83 PDE10A (0.45) GPR35ERN1ALDH1A1PDE10AKDM4E
SCHEMBL6080394 0.82 PIM1 (0.42) GPR35PKMALDH1A1PTGS2KDM4E
SCHEMBL6081017 0.82 GPR35 (0.39) GPR35CA2CA12CA1CA3
SCHEMBL6080863 0.81 PRKAG1 (0.47) GPR35ERN1ALDH1A1SMN1; SMN2PDE10A
SCHEMBL6080920 0.80 PDE10A (0.50) GPR35CA2CA12CA1CA7
SCHEMBL6080942 0.80 HAO1 (0.39) GPR35ERN1ALDH1A1PDE10AKDM4E

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 1071/4885CA2 1772/4885CA12 3292/4885

“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.