SCHEMBL6080665

SCHEMBL6080665

COC(=O)C(=CC(=O)O)Nc1cc(CO)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL6588706 0.90 BRD4 (0.46) BRD4PTGER4PTGER2SMPD1HDAC1
SCHEMBL6588711 0.90 BRD4 (0.46) BRD4PTGER4PTGER2SMPD1HDAC1
SCHEMBL6080348 0.88 LMNA (0.52) BRD4SMPD1HDAC1HDAC8HDAC6
SCHEMBL6081152 0.86 BRD4 (0.63) BRD4PTGER4PTGER2NPC1RAB9A
SCHEMBL6079962 0.84 HTT (0.53) BRD4HPGDHTTKDM4EKMT2A
SCHEMBL6584410 0.78 LMNA (0.48) BRD4HPGDHTTKDM4ELMNA
SCHEMBL6584406 0.78 LMNA (0.48) BRD4HPGDHTTKDM4ELMNA
SCHEMBL6080333 0.75 LMNA (0.52) BRD4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6589729 0.74 BRD4 (0.63) BRD4PTGER4PTGER2NPC1PTGER1
SCHEMBL6589731 0.74 BRD4 (0.63) BRD4PTGER4PTGER2NPC1PTGER1

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 412/4885PTGER4 1255/4885PTGER2 1640/4885

“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.