SCHEMBL6079995

SCHEMBL6079995

COC(=O)c1cc(O)c2cc(-c3ccco3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AXL P30530 1/20 0.44
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NOTUM Q6P988 1/20 0.38
PPARD Q03181 4/20 0.38
NR4A2 P43354 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL6590308 0.90 MAPT (0.42) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL6080319 0.83 CNR1 (0.46) HPGDMAPTLMNANOTUMPPARD
SCHEMBL6080550 0.83 MAPT (0.45) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL6081276 0.82 LMNA (0.42) HPGDMAPTLMNANOTUMERN1
SCHEMBL6079735 0.81 NOTUM (0.46) HPGDLMNANOTUMERN1
SCHEMBL6080624 0.81 CYP11B1 (0.48) HPGDMAPTLMNANR4A2
SCHEMBL6080510 0.81 LMNA (0.47) HPGDALDH1A1MAPTTSHRHSD17B10
SCHEMBL6080125 0.81 LMNA (0.47) HPGDALDH1A1MAPTTSHRHSD17B10
SCHEMBL6079823 0.80 LMNA (0.50) HPGDALDH1A1TSHRHSD17B10LMNA
SCHEMBL6592298 0.75 MCL1 (0.53) MAPTPPARD

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 HPGD 336/4885ALDH1A1 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.