SCHEMBL6080642

SCHEMBL6080642

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2ccc(-c3ccccc3)c(OCc3ccccc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.42
MCL1 Q07820 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTGER1 P34995 2/20 0.38
PTPN1 P18031 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGER4 P35408 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
SCHEMBL6592323 0.91 MCL1 (0.48) P2RY14MCL1RXRARXRBRXRG
SCHEMBL6080197 0.88 CYP11B1 (0.42) P2RY14RXRARXRBRXRGPTGER1
SCHEMBL6081081 0.87 PTGER1 (0.45) P2RY14RXRARXRBRXRGPTGER1
SCHEMBL6079894 0.86 THRA (0.42) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL6080107 0.81 ADORA3 (0.39) MCL1PTGER1SLC6A2SLC6A3KMT2A
SCHEMBL6593903 0.80 P2RY14 (0.46) P2RY14MCL1RXRARXRBRXRG
SCHEMBL6080093 0.79 MMP2 (0.36) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080025 0.79 MRGPRX4 (0.42) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080347 0.79 MRGPRX4 (0.42) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6598155 0.78 PTGER1 (0.50) P2RY14MCL1RXRARXRBRXRG

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 P2RY14 1419/4885MCL1 998/4885RXRA 4509/4885

“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.