SCHEMBL6079939

SCHEMBL6079939

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cc(-c3cc(Cl)cc(Cl)c3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
PTGER1 P34995 7/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 2/20 0.40
MAP4K4 O95819 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL6080274 0.93 PTGER1 (0.43) DHODHPTGER1MCL1
SCHEMBL6593657 0.90 PTGER1 (0.47) PTGER1MCL1MAP4K4
SCHEMBL6080254 0.88 PTGER1 (0.41) DHODHPTGER1POLBMAP4K4NPSR1
SCHEMBL6079994 0.86 DHODH (0.46) DHODHPTGER1MCL1MAP4K4
SCHEMBL6593354 0.83 PTGER1 (0.50) PTGER1MCL1
SCHEMBL6079213 0.82 ERN1 (0.48) DHODHPTGER1POLBMCL1
SCHEMBL6080651 0.82 PTGER1 (0.42) PTGER1MCL1
SCHEMBL6594640 0.77 PTGER1 (0.47) PTGER1MCL1MAP4K4
SCHEMBL6081081 0.77 PTGER1 (0.45) DHODHPTGER1
SCHEMBL2906705 0.77 MAPT (0.49)

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 DHODH 188/4885PTGER1 1819/4885POLB 2489/4885

“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.