SCHEMBL3209577

SCHEMBL3209577

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.62
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
MAOB P27338 4/20 0.59
AKR1B10 O60218 1/20 0.59
AKR1B1 P15121 1/20 0.59
PTGS2 P35354 1/20 0.59
GLO1 Q04760 1/20 0.59
CAMK2A Q9UQM7 1/20 0.59
ESR1 P03372 1/20 0.52
CYP17A1 P05093 2/20 0.50
CYP21A2 P08686 2/20 0.50
CYP11B1 P15538 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3209590 1.00 ENPP2 (0.62) ENPP2MKNK1MKNK2MAOBAKR1B10
SCHEMBL7296217 0.83 MAOB (0.57) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL7296206 0.83 MAOB (0.57) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL1238620 0.81 ESR1 (0.67) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL1238616 0.81 ESR1 (0.67) ENPP2MKNK1MKNK2MAOBESR1
Hydrochloric Acid SCHEMBL7328751 0.80 ESR1 (0.65) ENPP2MKNK1MKNK2MAOBESR1
Hydrochloric Acid SCHEMBL7328757 0.80 ESR1 (0.65) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL28869394 0.80 MAOB (0.63) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL22579265 0.80 MAOB (0.63) ENPP2MKNK1MKNK2MAOBESR1
SCHEMBL16789347 0.80 MAOB (0.63) ENPP2MKNK1MKNK2MAOBESR1

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 ENPP2 4120/4885MKNK1 1106/4885MKNK2 1222/4885

“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.