SCHEMBL656896

SCHEMBL656896

COCOc1cc(OCOC)c(C=O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSPB1 P04792 3/20 0.41
PTGS2 P35354 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TLR9 Q9NR96 1/20 0.38
PDE7A Q13946 1/20 0.37
PTGS1 P23219 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
SCHEMBL7892400 0.90 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HSPB1
SCHEMBL657236 0.86 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2HSPB1
SCHEMBL657237 0.86 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2HSPB1
SCHEMBL28017989 0.84 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2HSPB1
SCHEMBL658418 0.81 PTGS2 (0.50) MAPTALDH1A1LMNASMN1; SMN2HSPB1
SCHEMBL7895508 0.80 MAPT (0.45) MAPTLMNASMN1; SMN2HSPB1PTGS2
SCHEMBL30401888 0.80 ERN1 (0.41) MAPTALDH1A1LMNA
SCHEMBL656955 0.80 MAPT (0.52) MAPTALDH1A1HSPB1PTGS2MEN1
SCHEMBL27261306 0.79 TTR (0.47) ALDH1A1LMNAHTTKMT2A
SCHEMBL3132216 0.77 PTGS2 (0.56) MAPTALDH1A1LMNASMN1; SMN2PTGS2

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 MAPT 84/4885ALDH1A1 1996/4885LMNA 3734/4885

“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.