SCHEMBL3211217

SCHEMBL3211217

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.52
ME1 P48163 2/20 0.52
ME3 Q16798 2/20 0.52
BCHE P06276 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 1/20 0.49
GPR183 P32249 1/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3211194 1.00 ME2 (0.52) ME2ME1ME3BCHEMAOA
SCHEMBL3207918 0.82 BACE1 (0.53) BCHEMAOAACHEBACE1MEN1
SCHEMBL3207945 0.82 BACE1 (0.53) BCHEMAOAACHEBACE1MEN1
SCHEMBL3212496 0.80 AKR1B10 (0.54) BACE1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3212472 0.80 AKR1B10 (0.54) BACE1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3211905 0.78 ALDH1A1 (0.62) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL1647085 0.74 DRD4 (0.49) BCHEMAOAACHEBACE1MEN1
SCHEMBL1647088 0.74 DRD4 (0.49) BCHEMAOAACHEBACE1MEN1
SCHEMBL27739911 0.72 OPRM1 (0.71) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL9210414 0.72 KMT2A (0.72) BCHEACHEALDH1A1MAPTNPBWR1

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-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US 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

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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ME2 2660/4885ME1 2719/4885ME3 3143/4885

“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.