SCHEMBL3744601

SCHEMBL3744601

CCOC(=O)CC(=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.62
FFAR4 Q5NUL3 2/20 0.62
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LTA4H P09960 4/20 0.53
EPHX2 P34913 1/20 0.53
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
ALOX5 P09917 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3091164 0.89 FFAR1 (0.68) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL11156485 0.88 FFAR1 (0.67) FFAR1FFAR4LTA4HEPHX2LTB4R
SCHEMBL717900 0.88 TDP1 (0.56) ALDH1A1L3MBTL1ALOX5TDP1
SCHEMBL2773462 0.85 FFAR1 (0.68) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL6175000 0.85 TDP1 (0.53) ALDH1A1L3MBTL1ALOX5TDP1
SCHEMBL19825762 0.84 FFAR1 (0.61) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL2959389 0.84 FFAR1 (0.68) FFAR1FFAR4LTA4HEPHX2LTB4R
SCHEMBL2871406 0.84 FFAR1 (0.77) FFAR1FFAR4LTA4HEPHX2POLB
SCHEMBL8010686 0.84 FFAR1 (0.72) FFAR1FFAR4ALDH1A1L3MBTL1LTA4H
SCHEMBL7159712 0.83 CYP4F2 (0.64) L3MBTL1ALOX5GAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868463-B Novel polyspirocyclic compounds, their use in the treatment of malaria or toxoplasmosis and processes for their preparation UNIV JOSEPH FOURIER 2013-05-01 CN 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-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
EP-2195323-B1 Polyspirane compounds, use thereof in the treatment of malaria or toxoplasmosis and method for their preparation UNIV JOSEPH FOURIER (FR) 2011-12-28 EP 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
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
CN-101868463-A Novel polyspirocyclic compounds, their use in the treatment of malaria or toxoplasmosis and processes for their preparation UNIV JOSEPH FOURIER 2010-10-20 CN disclosed
WO-2009077677-A2 NOVEL POLYSPIRANE COMPOUNDS, APPLICATION THEREOF IN THE TREATMENT OF MALARIA OR TOXOPLASMOSIS AND METHOD FOR PREPARING SAME UNIVERSITE JOSEPH FOURIER (FR) 2009-06-25 WO 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 FFAR1 3390/4885FFAR4 4056/4885NR1H4 619/4885

“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.