SCHEMBL1018545

SCHEMBL1018545

COC(=O)c1cc(C(C)C)c(O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
GAA P10253 4/20 0.47
HSP90AA1 P07900 2/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 4/20 0.44
RECQL P46063 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
EGFR P00533 1/20 0.40
HMGCR P04035 1/20 0.40

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
SCHEMBL1018553 0.87 HTT (0.47) HTTGAAHSP90AA1KDM4EPOLB
SCHEMBL382174 0.86 GAA (0.50) HTTGAAKDM4EPOLBRECQL
SCHEMBL1021339 0.85 KDM4E (0.49) HTTHSP90AA1KDM4EPOLBRECQL
SCHEMBL1018849 0.84 HSP90AA1 (0.56) GAAHSP90AA1KDM4EPOLBCA12
SCHEMBL1018764 0.83 HSP90AA1 (0.44) GAAHSP90AA1CA12CA1CA2
SCHEMBL18318870 0.82 GAA (0.58) HTTGAAKDM4EPOLBLMNA
SCHEMBL23159299 0.80 HSP90AA1 (0.46) GAAHSP90AA1KDM4EPOLBCA12
SCHEMBL15614388 0.80 KDM4E (0.45) HTTGAAKDM4EPOLBRECQL
SCHEMBL1020114 0.80 HSP90AA1 (0.42) GAAHSP90AA1KDM4ETSHRMAPT
SCHEMBL20379942 0.80 HTT (0.48) HTTGAAHSP90AA1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 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 (2 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-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 HTT 313/4885GAA 1031/4885HSP90AA1 2662/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 HTT 1259/4885GAA 4684/4885HSP90AA1 4129/4885

“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.