SCHEMBL3220737

SCHEMBL3220737

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN11 Q06124 1/20 0.45
AURKB Q96GD4 3/20 0.44
EGFR P00533 2/20 0.44
RAF1 P04049 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
CYP17A1 P05093 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8693590 0.90 CA1 (0.54) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL14679376 0.84 POLB (0.54) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10845806 0.84 POLB (0.53) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10850707 0.84 CA1 (0.50) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL418939 0.84 CYP17A1 (0.54) CA1HDAC3HDAC1HDAC6PTPN11
SCHEMBL5864434 0.83 ALDH1A1 (0.53) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL7491713 0.83 CA1 (0.49) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL400342 0.83 CA1 (0.49) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL10862149 0.83 EGFR (0.52) CA1CA2HDAC3HDAC1HDAC10
SCHEMBL16265415 0.83 EGFR (0.55) CA1CA2HDAC3HDAC1HDAC10

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 1240/4885HDAC3 176/4885

“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.