SCHEMBL6987792

SCHEMBL6987792

COC(=O)C(O)=CC(=O)CC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.50
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 2/20 0.45
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGER1 P34995 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
SCHEMBL7158007 0.88 SGMS2 (0.53) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL14003834 0.87 SGMS2 (0.55) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL6988248 0.85 NPC1 (0.60) NPC1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL6988245 0.85 NPC1 (0.60) NPC1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL4879716 0.83 SGMS2 (0.56) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7531833 0.80 SGMS2 (0.58) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL9643397 0.78 SGMS2 (0.60) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL6243854 0.78 NPC1 (0.64) SGMS2NPC1GAAMEN1KMT2A
SCHEMBL7160628 0.78 PTPN1 (0.53) NPC1GAAMEN1KMT2AMAPT
SCHEMBL9642440 0.78 SGMS2 (0.59) SGMS2NPC1GAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370510-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-17 EP disclosed
US-6548546-B2 Administering a 2-hydroxy-4-oxo- or 4,6-dioxo-6-pheny-l or naphthyl- hex-2-enoic acid; viricides; AIDS/ARC BRISTOL-MYERS SQUIBB COMPANY 2003-04-15 US disclosed
US-20020123527-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-09-05 US disclosed
WO-2001098248-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-27 WO 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-20020123527-A1 HIV integrase inhibitors POLM, NPC1, AP1M1 SGMS2 2208/4885NPC1 2/4885GAA 1868/4885

“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.