SCHEMBL13055952

SCHEMBL13055952

CCOC(=O)CC(=O)/C=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TNFRSF1A P19438 2/20 0.52
▸ APP P05067 5/20 0.52
▸ GSK3B P49841 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ BCHE P06276 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
SCHEMBL13811398 0.94 BACE1 (0.54) BACE1KDM4EALDH1A1HPGDAPP
SCHEMBL6585882 0.87 CA12 (0.61) KDM4EALDH1A1TNFRSF1AAPPALOX5
SCHEMBL6585887 0.87 CA12 (0.61) KDM4EALDH1A1TNFRSF1AAPPALOX5
SCHEMBL7512554 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDTNFRSF1AAPP
SCHEMBL7512551 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDTNFRSF1AAPP
SCHEMBL11779313 0.83 BACE1 (0.67) BACE1KDM4EALDH1A1HPGDAPP
SCHEMBL22555959 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDTNFRSF1AAPP
SCHEMBL14253565 0.81 CA12 (0.55) KDM4EALDH1A1APPALOX5PDE4A
SCHEMBL5685375 0.81 CA12 (0.55) KDM4EALDH1A1APPALOX5PDE4A
SCHEMBL5685380 0.81 CA12 (0.55) KDM4EALDH1A1APPALOX5PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389569-B2 Polyspirane compounds, application thereof in the treatment of malaria or toxoplasmosis and method for preparing same UNIVERSITE JOSEPH FOURIER (FR) 2013-03-05 — — US disclosed
US-8389569-B2 Polyspirane compounds, application thereof in the treatment of malaria or toxoplasmosis and method for preparing same UNIVERSITE JOSEPH FOURIER (FR) 2013-03-05 — — US disclosed
US-20100298422-A1 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 — — US disclosed
US-20100298422-A1 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 — — 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-20100298422-A1 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME FLOT1, PHOSPHO1, GPAA1 BACE1 4654/4885KDM4E 4421/4885ALDH1A1 3853/4885

“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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