SCHEMBL1647995

SCHEMBL1647995

CC(C)(C)c1ccc(COc2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
NR4A2 P43354 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
BACE1 P56817 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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 0.86 MAOB (0.56) BACE1MAOBMAOAALDH1A1MAPT
SCHEMBL1646241 0.86 NPC1 (0.58) APPBACE1ALDH1A1MAPTNPC1
SCHEMBL8943775 0.84 MAOB (0.56) APPBACE1MAOBMAOAALDH1A1
SCHEMBL1646385 0.83 BACE1 (0.61) BACE1MAOBMAOANPC1RAB9A
SCHEMBL31053128 0.83 BACE1 (0.61) BACE1MAOBMAOANPC1RAB9A
SCHEMBL7325804 0.81 MAPT (0.53) BACE1MAOBMAOAMAPTRAB9A
SCHEMBL811221 0.80 APP (0.49) APPNR4A2RXRARXRBNR4A1
SCHEMBL1647408 0.79 BACE1 (0.77) BACE1MAPTRAB9A
SCHEMBL1647409 0.79 BACE1 (0.77) BACE1MAPTRAB9A
SCHEMBL6117534 0.77 MAPT (0.63) ALDH1A1MAPTNPC1RAB9A

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 8 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
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN 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
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN 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 APP 2/4885NR4A2 456/4885RXRA 4669/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 APP 2/4885NR4A2 455/4885RXRA 4348/4885

“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.