SCHEMBL6080778

SCHEMBL6080778

COC(=O)c1cc(O)c2cccc(-c3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
DHODH Q02127 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PTGER4 P35408 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP2A P11388 1/20 0.41
CCR6 P51684 1/20 0.41
ERCC1 P07992 1/20 0.40

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
SCHEMBL6079850 0.85 CYP3A4 (0.52) KDM4ECYP3A4CYP2C8CYP2C9DHODH
SCHEMBL1401134 0.81 MAPT (0.45) ALDH1A1KDM4EHPGDHSD17B10PTGER4
SCHEMBL8292463 0.80 LCK (0.42) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL6080401 0.80 NQO2 (0.47) ALDH1A1KDM4EHPGDHSD17B10PTGER4
SCHEMBL2222961 0.80 ADORA2A (0.47) ALDH1A1KDM4EHPGDHSD17B10PTGER4
SCHEMBL1815489 0.80 MAPT (0.45) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL561666 0.80 PDE10A (0.47) ALDH1A1KDM4EHPGDHSD17B10PTGER4
SCHEMBL6079878 0.79 EGFR (0.49) EGFRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31389316 0.79 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL561686 0.79 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 EGFR 4762/4885ALDH1A1 2726/4885KDM4E 1006/4885

“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.