SCHEMBL3201261

SCHEMBL3201261

O=Cc1ccc(C=Cc2ccccc2N(c2ccccc2C=Cc2ccc(C=O)cc2)c2ccccc2C=Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NFE2L2 Q16236 6/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 1/20 0.39
TRPA1 O75762 2/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP2A13 Q16696 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
FGF23 Q9GZV9 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL4586005 0.84 NFE2L2 (0.54) NFE2L2KMT2AMEN1APPTRPA1
SCHEMBL374886 0.77 LMNA (0.60) CYP2A6ALDH1A1KMT2AMEN1LMNA
SCHEMBL22711285 0.76 RELA (0.50) NFE2L2APPTRPA1
SCHEMBL1533629 0.76 ALDH1A1 (0.41) CYP2A6ALDH1A1NFE2L2PPARGKMT2A
SCHEMBL27661663 0.76 RELA (0.50) NFE2L2APPTRPA1
SCHEMBL21647821 0.76 RELA (0.50) NFE2L2APPTRPA1
SCHEMBL13778825 0.74 APP (0.43) ALDH1A1NFE2L2KMT2AMEN1LMNA
SCHEMBL19583375 0.74 APP (0.43) ALDH1A1NFE2L2KMT2AMEN1LMNA
SCHEMBL6405637 0.74 NFE2L2 (0.48) NFE2L2KMT2AMEN1APPTRPA1
SCHEMBL1861624 0.74 NFE2L2 (0.48) NFE2L2KMT2AMEN1APPTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254196-B1 DENDRIMERS ISIS INNOVATION (GB) 2010-11-03 EP disclosed
US-7682708-B2 Dendrimers ISIS INNOVATION LIMITED (GB) 2010-03-23 US disclosed
US-20080004471-A1 Dendrimers OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2008-01-03 US disclosed
US-7276299-B2 Dendrimers ISIS INNOVATION LIMITED (GB) 2007-10-02 US disclosed
US-20060252963-A1 Dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2006-11-09 US disclosed
US-7083862-B2 Dendrimers ISIS INNOVATION LIMITED (GB) 2006-08-01 US disclosed
US-20030134147-A1 Dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2003-07-17 US disclosed
EP-1254196-A1 DENDRIMERS ISIS INNOVATION LIMITED (GB) 2002-11-06 EP disclosed
WO-2001059030-A1 DENDRIMERS ISIS INNOVATION LIMITED (GB) 2001-08-16 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-20060252963-A1 Dendrimers NPY1R, CHRM1, TLR1 CYP2A6 4267/4885ALDH1A1 2905/4885NFE2L2 1315/4885
US-20080004471-A1 Dendrimers NPY1R, CHRM1, TLR1 CYP2A6 4267/4885ALDH1A1 2905/4885NFE2L2 1315/4885

“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.