SCHEMBL658418

SCHEMBL658418

COc1cc(OC)c(C=O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
TLR9 Q9NR96 1/20 0.50
PTGS1 P23219 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ERN1 O75460 1/20 0.48
HSPB1 P04792 2/20 0.46
CYP19A1 P11511 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL655184 0.84 MAPT (0.49) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL655185 0.84 MAPT (0.49) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL13915773 0.81 TLR9 (0.59) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL656896 0.81 MAPT (0.50) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL13236303 0.78 MAPT (0.71) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL1750589 0.78 ALDH1A1 (0.67) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL23906962 0.77 MEN1 (0.63) PTGS2TLR9PTGS1ALDH1A1LMNA
SCHEMBL1980566 0.77 HSPB1 (0.51) PTGS2TLR9PTGS1ALDH1A1MAPT
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.76 ERN1 (0.74) ALDH1A1LMNAERN1TDP1
SCHEMBL3842938 0.76 ERN1 (0.56) ALDH1A1LMNAMAPTERN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102438988-B Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-06-24 CN 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
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
CN-102438988-A Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2012-05-02 CN 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
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 PTGS2 1039/4885TLR9 3324/4885PTGS1 746/4885

“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.