SCHEMBL3211207

SCHEMBL3211207

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1N(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
ABCB1 P08183 2/20 0.72
AKR1B1 P15121 2/20 0.72
MAOA P21397 2/20 0.72
MAOB P27338 2/20 0.72
BACE1 P56817 9/20 0.69
MMP9 P14780 3/20 0.66
APP P05067 5/20 0.63
MAPT P10636 5/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
NFE2L2 Q16236 2/20 0.63
HDAC3 O15379 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
ALOX5 P09917 2/20 0.63

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
SCHEMBL3211190 1.00 CA1 (0.73) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3216853 0.93 NFE2L2 (0.70) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3216888 0.93 NFE2L2 (0.70) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3211184 0.90 APP (0.80) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3211168 0.90 APP (0.80) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3213869 0.89 MAPT (0.74) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3213847 0.89 MAPT (0.74) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3206032 0.85 NFE2L2 (0.85) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL3206013 0.85 NFE2L2 (0.85) CA1CA2ABCB1AKR1B1MAOA
SCHEMBL431246 0.84 ABCB1 (1.00) CA1CA2ABCB1AKR1B1MAOA

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 CA1 271/4885CA2 1240/4885ABCB1 3282/4885

“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.