SCHEMBL3207918

SCHEMBL3207918

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cccnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.53
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HSD11B1 P28845 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 1/20 0.46
GPR183 P32249 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL3207945 1.00 BACE1 (0.53) BACE1BCHEMAOAACHEHTR3E
SCHEMBL3218868 0.92 HTR3E (0.54) BCHEACHEHTR3EHTR3BHTR1A
SCHEMBL3218878 0.92 HTR3E (0.54) BCHEACHEHTR3EHTR3BHTR1A
SCHEMBL3198226 0.83 BACE1 (0.57) BACE1
SCHEMBL3198194 0.83 BACE1 (0.57) BACE1
SCHEMBL3211217 0.82 ME2 (0.52) BACE1BCHEMAOAACHEMEN1
SCHEMBL3211194 0.82 ME2 (0.52) BACE1BCHEMAOAACHEMEN1
SCHEMBL3198071 0.76 HTR3E (0.61) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL1647088 0.75 DRD4 (0.49) BACE1BCHEMAOAACHEMEN1
SCHEMBL1647085 0.75 DRD4 (0.49) BACE1BCHEMAOAACHEMEN1

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 BACE1 1/4885BCHE 129/4885MAOA 676/4885

“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.