SCHEMBL3424072

SCHEMBL3424072

CCC(CCC(=O)Oc1ccc([N+](=O)[O-])cc1)OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KIF11 P52732 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL3921913 0.80 BCL9 (0.51) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL14356125 0.79 BCL9 (0.49) BCL9CTNNB1GAAALDH1A1SMN1; SMN2
SCHEMBL29129898 0.77 BCL9 (0.61) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL8052842 0.74 MGLL (0.45) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL714719 0.74 BCL9 (0.44) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL3424081 0.73 BCL9 (0.46) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL5700651 0.71 GAA (0.43) GAAALDH1A1SMN1; SMN2MAPTKMT2A
Nitrobenzene SCHEMBL28241110 0.71 ALDH1A1 (0.48) GAAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL27713294 0.71 BCL9 (0.70) BCL9CTNNB1GAAALDH1A1SMN1; SMN2
SCHEMBL29518072 0.70 MAPT (0.44) GAAEGFRERBB2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP disclosed
US-7759126-B2 Real-time linear detection probes: sensitive 5′-minor groove binder-containing probes for amplification (or PCR) analysis ELITECH HOLDING B.V. (NL) 2010-07-20 US disclosed
US-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2008-11-27 US disclosed
US-7381818-B2 Fluorescent probes containing 5′-minor groove binder, fluorophore and quenching moieties and methods of use thereof EPOCH BIOSCIENCES, INC. (US) 2008-06-03 US disclosed
EP-1687609-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND Epoch Biosciences, Inc. (US) 2006-08-09 EP disclosed
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background EPOCH BIOSCIENCES, INC (US) 2005-09-29 US disclosed
WO-2005043127-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2005-05-12 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 (2 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-20080293586-A1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND SSBP1, DDB1, DNA2 BCL9 2354/4885CTNNB1 3198/4885GAA 2125/4885
US-20050214797-A1 Fluorescent probes for DNA detection by hybridization with improved sensitivity and low background SSBP1, DDB1, DNA2 BCL9 2354/4885CTNNB1 3198/4885GAA 2125/4885

“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.