SCHEMBL657299

SCHEMBL657299

CCOC(=O)C(=O)CC(=O)c1c(OCOCCOC)cc(OCOCCOC)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPRT1 P00492 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL657646 0.81 MAOB (0.46) ALDH1A1L3MBTL1LMNANPC1KDM4E
SCHEMBL656975 0.80 MAPT (0.40) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL10147677 0.76 ALDH1A1 (0.46) ALDH1A1NR1H4L3MBTL1LMNANPC1
SCHEMBL9260823 0.76 CTNNB1 (0.49) ALDH1A1L3MBTL1NPC1KMT2ARAB9A
SCHEMBL654853 0.76 CYP19A1 (0.46) ALDH1A1NR1H4LMNANPC1KDM4E
SCHEMBL7911106 0.75 ALDH1A1 (0.55) ALDH1A1NR1H4L3MBTL1LMNANPC1
SCHEMBL657787 0.74 MAPT (0.48) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL70341 0.72 ALDH1A1 (0.63) ALDH1A1NR1H4L3MBTL1LMNANPC1
SCHEMBL69725 0.72 SGMS2 (0.52) ALDH1A1NR1H4L3MBTL1LMNANPC1
SCHEMBL30535266 0.72 SGMS2 (0.52) ALDH1A1NR1H4L3MBTL1LMNANPC1

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 6 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
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
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 ALDH1A1 1996/4885NR1H4 873/4885L3MBTL1 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.