SCHEMBL3754810

SCHEMBL3754810

CCOC(=O)CCc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
CYP4Z1 Q86W10 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14286049 0.88 MGLL (0.46) MGLLHRH3MEN1KMT2A
SCHEMBL17754275 0.85 MGLL (0.45) MGLLCYP4F2CYP4A11HRH3CYP4Z1
SCHEMBL19504841 0.84 ITGB3 (0.48) MGLLMEN1KMT2A
SCHEMBL19103219 0.81 MGLL (0.41) MGLLCYP4F2CYP4A11HRH3CYP4Z1
SCHEMBL5702491 0.81 MEN1 (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL13056003 0.80 KMT2A (0.37) MGLLMEN1KMT2A
SCHEMBL15654561 0.80 RAB9A (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL3660879 0.80 MEN1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL4901687 0.80 MGLL (0.43) MGLLMEN1KMT2A
SCHEMBL22334888 0.79 MGLL (0.48) MGLLCYP4F2CYP4A11HRH3CYP4Z1

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 5 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
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

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 MGLL 1679/4885CYP4F2 2062/4885CYP4A11 1772/4885

“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.