SCHEMBL3221697

SCHEMBL3221697

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 1.00
DNTT P04053 1/20 0.79
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CASP6 P55212 1/20 0.53
RCE1 Q9Y256 1/20 0.53
AKR1B10 O60218 1/20 0.51

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
SCHEMBL3221709 1.00 BACE1 (1.00) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3220655 0.90 BACE1 (0.81) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3220639 0.90 BACE1 (0.81) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL7706293 0.83 BACE1 (0.70) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3212508 0.82 BACE1 (0.70) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3212525 0.82 BACE1 (0.70) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3198240 0.82 BACE1 (0.70) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3198223 0.82 BACE1 (0.70) BACE1DNTTPOLBMEN1KMT2A
SCHEMBL3223033 0.82 BACE1 (0.69) BACE1DNTTMEN1KMT2AALDH1A1
SCHEMBL3223027 0.82 BACE1 (0.69) BACE1DNTTMEN1KMT2AALDH1A1

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 1/4885DNTT 3619/4885POLB 4358/4885

“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.