SCHEMBL6081152

SCHEMBL6081152

COC(=O)C(=CC(=O)O)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.63
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPIA P62937 2/20 0.48
POLB P06746 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.43
CASP3 P42574 2/20 0.43
RAB9A P51151 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
RXRA P19793 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL6589729 0.88 BRD4 (0.63) BRD4TDP1L3MBTL1PPIAPOLB
SCHEMBL6589731 0.88 BRD4 (0.63) BRD4TDP1L3MBTL1PPIAPOLB
SCHEMBL6080348 0.87 LMNA (0.52) BRD4TDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL6080665 0.86 BRD4 (0.46) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL6079962 0.83 HTT (0.53) BRD4PPIAALDH1A1RXRAKDM4E
SCHEMBL6080718 0.82 TDP1 (0.45) BRD4TDP1L3MBTL1PTGER1PTGER4
SCHEMBL6080333 0.78 LMNA (0.52) BRD4PPIAALDH1A1NPC1RAB9A
SCHEMBL8924076 0.78 BRD4 (1.00) BRD4TDP1L3MBTL1PPIARAB9A
SCHEMBL3619403 0.77 BRD4 (0.77) BRD4TDP1L3MBTL1PPIAPOLB
SCHEMBL6584410 0.77 LMNA (0.48) BRD4TDP1L3MBTL1POLBALDH1A1

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 1 patent. 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 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 BRD4 412/4885TDP1 2264/4885L3MBTL1 4069/4885

“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.