SCHEMBL1646408

SCHEMBL1646408

CC(C)(C)OC(=O)N1CCN(c2ccc(/C=C/C(=O)CC(=O)/C=C/c3ccc(O)cc3)c(Br)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.52
BACE1 P56817 11/20 0.48
HDAC1 Q13547 1/20 0.48
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1646410 1.00 ABCB1 (0.52) ABCB1BACE1HDAC1LMNAMAPT
SCHEMBL1646680 0.96 ABCB1 (0.49) ABCB1BACE1HDAC1LMNAMAPT
SCHEMBL15295429 0.96 ABCB1 (0.49) ABCB1BACE1HDAC1LMNAMAPT
SCHEMBL1646634 0.82 BACE1 (0.56) BACE1ME2ME1ME3
SCHEMBL1646637 0.82 BACE1 (0.56) BACE1ME2ME1ME3
SCHEMBL1645641 0.82 BACE1 (0.58) BACE1
SCHEMBL1645644 0.82 BACE1 (0.58) BACE1
SCHEMBL3211891 0.82 BACE1 (0.51) ABCB1BACE1HDAC1
SCHEMBL3211881 0.82 BACE1 (0.51) ABCB1BACE1HDAC1
Hydrochloric Acid SCHEMBL1645748 0.80 BACE1 (0.56) ABCB1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ABCB1 1952/4885BACE1 1/4885HDAC1 47/4885

“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.