SCHEMBL658164

SCHEMBL658164

COCCOCOc1cc(OCOCCOC)c(C(C)=O)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAOA P21397 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL656955 0.90 MAPT (0.52) MAPTALDH1A1MAOBKMT2AMEN1
SCHEMBL656975 0.84 MAPT (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7885636 0.81 MAPT (0.47) MAPTMAOBKMT2AMEN1MAOA
SCHEMBL7885792 0.81 TBXA2R (0.47) MAPTALDH1A1LMNAMAOBKMT2A
SCHEMBL8417803 0.80 LMNA (0.52) MAPTALDH1A1LMNAKCNH2PTGS2
SCHEMBL16388043 0.77 HSP90AA1 (0.51) MAPTALDH1A1LMNA
Potassium Ion SCHEMBL657320 0.77 HSP90AA1 (0.50) MAPTALDH1A1LMNA
SCHEMBL656312 0.76 MAOB (0.55) MAPTLMNAMAOBKMT2AMEN1
SCHEMBL657376 0.75 CYP3A4 (0.51) MAPTMAOBKMT2AMEN1POLB
SCHEMBL3715889 0.75 HSP90AA1 (0.47) MAPTALDH1A1LMNAKMT2ANPC1

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 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.