SCHEMBL3221670

SCHEMBL3221670

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(-c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.61
AKR1B1 P15121 1/20 0.61
MAOB P27338 1/20 0.61
PTGS2 P35354 1/20 0.61
GLO1 Q04760 1/20 0.61
CAMK2A Q9UQM7 1/20 0.61
BACE1 P56817 16/20 0.56
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
GSK3B P49841 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
HSPE1 P61604 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL3221681 1.00 AKR1B10 (0.61) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3216578 0.84 AKR1B10 (0.67) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3216593 0.84 AKR1B10 (0.67) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3214023 0.82 AKR1B10 (0.52) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3214010 0.82 AKR1B10 (0.52) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL11827474 0.81 HDAC2 (0.56) AKR1B10AKR1B1HDAC3HDAC1HDAC2
SCHEMBL11827477 0.81 HDAC2 (0.56) AKR1B10AKR1B1HDAC3HDAC1HDAC2
SCHEMBL29582340 0.78 NPC1 (0.65) PKMRAB9AKMT2A
SCHEMBL1669339 0.78 NPC1 (0.65) PKMRAB9AKMT2A
Bisdemethoxycurcumin SCHEMBL428638 0.78 AKR1B1 (1.00) AKR1B10AKR1B1MAOBPTGS2GLO1

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 AKR1B10 1428/4885AKR1B1 1096/4885MAOB 969/4885

“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.