SCHEMBL657522

SCHEMBL657522

CCNC(=O)c1cc(-c2c(OCOCCOC)cc(OCOCCOC)cc2OCc2ccccc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.47
HPGD P15428 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 2/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HSP90AB1 P08238 1/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 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
SCHEMBL657787 0.88 MAPT (0.48) SMPD1ALDH1A1HSP90AA1MAPTLMNA
SCHEMBL655031 0.80 HSP90AA1 (0.54) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL658576 0.79 HSP90AA1 (0.64) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL10147676 0.78 SMPD1 (0.47) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL656563 0.78 HSP90AA1 (0.69) SMPD1HSP90AA1HSP90AB1
SCHEMBL10147625 0.76 HSP90AA1 (0.54) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL657646 0.74 MAOB (0.46) SMPD1ALDH1A1KDM4ENPSR1RAB9A
SCHEMBL19766828 0.74 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E
SCHEMBL10147476 0.74 HSP90AA1 (0.68) SMPD1HSP90AA1MAPTMEN1KMT2A
SCHEMBL19638166 0.73 HPGD (0.53) SMPD1HPGDALDH1A1HSD17B10KDM4E

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 SMPD1 3924/4885HPGD 589/4885ALDH1A1 1996/4885

“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.