SCHEMBL487695

SCHEMBL487695

COCC1CCCN1C(=O)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
POLB P06746 2/20 0.48
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
RAB9A P51151 2/20 0.47
HTR7 P34969 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ROCK2 O75116 1/20 0.45
ADORA2A P29274 4/20 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
SCHEMBL10256068 1.00 HSP90AA1 (0.54) HSP90AA1HSP90AB1POLBTLR8TLR7
SCHEMBL19317245 0.86 HTR7 (0.55) POLBTLR8TLR7RAB9AHTR7
SCHEMBL15317694 0.82 POLB (0.54) POLBTLR8TLR7RAB9AHTR7
SCHEMBL487489 0.82 HSP90AA1 (0.54) HSP90AA1HSP90AB1NPC1
SCHEMBL19321965 0.80 HTR7 (0.57) POLBTLR8TLR7RAB9AHTR7
SCHEMBL16708323 0.78 POLB (0.57) POLBTLR8TLR7RAB9AHTR7
SCHEMBL12302043 0.78 POLB (0.57) POLBTLR8TLR7RAB9AHTR7
SCHEMBL12156486 0.77 POLB (0.59) POLBTLR8TLR7RAB9AHTR7
SCHEMBL970132 0.77 POLB (0.56) POLBTLR8TLR7RAB9AHTR7
SCHEMBL970133 0.77 POLB (0.56) POLBTLR8TLR7RAB9AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 EP disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (3 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P HSP90AA1 1/4885HSP90AB1 2/4885POLB 1697/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885POLB 1608/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885POLB 4404/4885

“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.