SCHEMBL6080274

SCHEMBL6080274

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cc(-c3cccc(Cl)c3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.43
CYP2C9 P11712 2/20 0.41
MCL1 Q07820 1/20 0.41
PPIA P62937 2/20 0.40
DHODH Q02127 1/20 0.40
GPR34 Q9UPC5 2/20 0.39

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
SCHEMBL6079939 0.93 DHODH (0.41) PTGER1MCL1DHODH
SCHEMBL6593354 0.91 PTGER1 (0.50) PTGER1CYP2C9MCL1
SCHEMBL6080254 0.85 PTGER1 (0.41) PTGER1CYP2C9DHODH
SCHEMBL6079994 0.84 DHODH (0.46) PTGER1MCL1DHODHGPR34
SCHEMBL6593657 0.83 PTGER1 (0.47) PTGER1MCL1
SCHEMBL6079213 0.80 ERN1 (0.48) PTGER1CYP2C9MCL1DHODH
SCHEMBL6080651 0.80 PTGER1 (0.42) PTGER1MCL1
SCHEMBL6081081 0.79 PTGER1 (0.45) PTGER1CYP2C9DHODH
SCHEMBL6080066 0.76 PTGER1 (0.43) PTGER1CYP2C9MCL1PPIA
SCHEMBL6080347 0.76 MRGPRX4 (0.42) PTGER1

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 PTGER1 1819/4885CYP2C9 199/4885MCL1 998/4885

“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.