SCHEMBL3205905

SCHEMBL3205905

COCOc1cccc(OC)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
ERN1 O75460 2/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
FDPS P14324 1/20 0.38
NFE2L2 Q16236 2/20 0.37
SRC P12931 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL34462800 1.00 BACE1 (0.45) BACE1ERN1TLR2TLR1TLR6
SCHEMBL3218241 0.94 PTPN1 (0.42) BACE1ERN1TLR2TLR1TLR6
Bromomethane SCHEMBL28079811 0.85 ERN1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL170690 0.84 ERN1 (0.55) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL747870 0.84 TLR2 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL10922927 0.83 BACE1 (0.52) BACE1ERN1TLR2TLR1TLR6
SCHEMBL12855017 0.83 BACE1 (0.38) BACE1ERN1TLR2TLR1TLR6
SCHEMBL6683418 0.83 ALDH1A1 (0.40) BACE1ERN1TLR2TLR1TLR6
SCHEMBL20541205 0.83 ALDH1A1 (0.52) BACE1ERN1TLR2TLR1TLR6
SCHEMBL20279251 0.83 ERN1 (0.42) BACE1ERN1TLR2TLR1TLR6

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 1/4885ERN1 2254/4885TLR2 3863/4885

“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.