SCHEMBL1646241

SCHEMBL1646241

COc1ccc(COc2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TLR4 O00206 1/20 0.56
TLR2 O60603 1/20 0.56
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TUBB1 Q9H4B7 1/20 0.49
BACE1 P56817 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
PRKDC P78527 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APP P05067 3/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6927262 0.90 MAOB (0.56) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL8943775 0.87 MAOB (0.56) TLR4TLR2MAPTALDH1A1BACE1
SCHEMBL1646385 0.86 BACE1 (0.61) NPC1RAB9ATLR4TLR2BACE1
SCHEMBL31053128 0.86 BACE1 (0.61) NPC1RAB9ATLR4TLR2BACE1
SCHEMBL1647995 0.86 APP (0.47) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL15670846 0.86 ALDH1A1 (0.61) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL6785285 0.85 ALDH1A1 (0.51) NPC1RAB9ATDP1TLR4TLR2
SCHEMBL30766429 0.84 ALDH1A1 (0.60) NPC1RAB9AMAPTALDH1A1BACE1
SCHEMBL1161468 0.84 ALDH1A1 (0.60) NPC1RAB9AMAPTALDH1A1BACE1
SCHEMBL7325804 0.84 MAPT (0.53) RAB9AMAPTBACE1CYP3A4CYP19A1

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-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 NPC1 837/4885RAB9A 1684/4885TDP1 1738/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 NPC1 168/4885RAB9A 1450/4885TDP1 2737/4885

“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.