SCHEMBL1645574

SCHEMBL1645574

CC(C)COc1ccccc1-c1ccc(O)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
CHRNA7 P36544 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGER1 P34995 1/20 0.36

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
SCHEMBL1648002 0.85 PTPRC (0.46) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1647250 0.80 BACE1 (0.60) NFKB1NFKB2RELA
SCHEMBL271619 0.75 ALDH1A1 (0.66) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL20764452 0.73 ERN1 (0.60) ERN1NFKB1NFKB2RELAALDH1A1
SCHEMBL1645374 0.72 ALDH1A1 (0.47) ERN1ALDH1A1HPGD
SCHEMBL27936515 0.69 PTPN11 (0.44) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16687430 0.68 ALDH1A1 (0.42) ERN1NFKB1NFKB2RELAALDH1A1
SCHEMBL6240409 0.67 ALDH1A1 (0.53) ERN1CTSSCTSKALDH1A1HPGD
SCHEMBL19025135 0.67 TYR (0.60) ERN1HTT
SCHEMBL1646735 0.67 BACE1 (0.49) ERN1

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 ERN1 1672/4885NFKB1 276/4885NFKB2 300/4885

“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.