SCHEMBL14629576

SCHEMBL14629576

COC(=C\C(=O)CCc1ccc(O)cc1)/C=C/c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ GLO1 Q04760 1/20 0.51
▸ CAMK2A Q9UQM7 1/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA14 Q9ULX7 2/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ MET P08581 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ MMP2 P08253 5/20 0.48
▸ MMP9 P14780 5/20 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
SCHEMBL13310700 0.81 GSK3B (0.58) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL21998520 0.81 AKR1B10 (0.67) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL14629577 0.76 TRPV1 (0.52) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL1573468 0.76 AKR1B10 (0.69) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL1573466 0.76 AKR1B10 (0.69) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL13311577 0.75 GSK3B (0.65) AKR1B1MAOBAKR1B10PTGS2GLO1
Letestuianin A SCHEMBL29565897 0.74 HTR1A (0.62) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL29565226 0.74 HTR1A (0.69) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL31237229 0.74 AKR1B10 (0.51) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL30661993 0.74 AKR1B10 (0.51) AKR1B1MAOBAKR1B10PTGS2GLO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070003641-A1 Synergistic pharmaceutical compositions useful in prevention and treatment of beta-amyloid protein-induced disease KIM DARRICK S H 2007-01-04 — — US 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-20070003641-A1 Synergistic pharmaceutical compositions useful in prevention and treatment of beta-amyloid protein-induced disease APP, BACE1, GSAP AKR1B1 3323/4885MAOB 1411/4885AKR1B10 3281/4885

“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.

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