SCHEMBL656916

SCHEMBL656916

CCOC(=O)c1cc(-c2c(OCOC)cc(OCOC)cc2Oc2ccc(N(C)C)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.42
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 3/20 0.33
PTPN1 P18031 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL7892419 0.93 HSP90AA1 (0.50) HSP90AA1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL656890 0.89 LMNA (0.38) HSP90AA1ALDH1A1L3MBTL1MAPTPTPN1
SCHEMBL658319 0.86 HSP90AA1 (0.43) HSP90AA1L3MBTL1MAPTRAB9AHSP90AB1
SCHEMBL7893392 0.82 HSP90AA1 (0.40) HSP90AA1ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL658458 0.81 HSP90AA1 (0.61) HSP90AA1ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL7889755 0.79 HSP90AA1 (0.51) HSP90AA1MAPTMAPK1NPSR1HSP90AB1
SCHEMBL7898075 0.74 HSP90AA1 (0.44) HSP90AA1ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL657005 0.72 HSP90AA1 (0.46) HSP90AA1L3MBTL1MAPTRAB9AHSP90AB1
SCHEMBL657051 0.72 MAOB (0.46) HSP90AA1ALDH1A1MAPTRAB9AHSP90AB1
SCHEMBL4705111 0.71 HTT (0.44) ALDH1A1MAPTGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885ALDH1A1 1996/4885L3MBTL1 3565/4885

“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.