SCHEMBL3221328

SCHEMBL3221328

C=C(C)CCOP(=O)(OCCC(=C)C)OP(=O)(OCCC(=C)C)OCCC(=C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.62
CYP3A4 P08684 2/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL7469881 0.91 BTN3A1 (0.61) BTN3A1CYP3A4EPHX1ALDH1A1TSHR
SCHEMBL3211428 0.90 BTN3A1 (0.72) BTN3A1CYP3A4
SCHEMBL21576839 0.88 BTN3A1 (0.55) BTN3A1CYP3A4
SCHEMBL2785820 0.86 BTN3A1 (0.53) BTN3A1
SCHEMBL3215373 0.85 BTN3A1 (0.77) BTN3A1
SCHEMBL3211424 0.80 BTN3A1 (0.85) BTN3A1
SCHEMBL17705187 0.79 BTN3A1 (0.59) BTN3A1EPHX1
SCHEMBL21571268 0.79 BTN3A1 (0.77) BTN3A1EPHX1TSHR
Isopentenyl Phosphate SCHEMBL545278 0.79 BTN3A1 (0.70) BTN3A1EPHX1
SCHEMBL3215369 0.78 BTN3A1 (0.81) BTN3A1

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
WO-2015056813-A1 METHOD FOR PRODUCING ISOPRENE USING BACTERIUM AJINOMOTO CO., INC. (JP) 2015-04-23 WO disclosed
US-20100068179-A1 Phosphohalohydrins, Process For The Production Thereof And Use Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2010-03-18 US disclosed
US-7625879-B2 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2009-12-01 US disclosed
US-7432253-B2 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2008-10-07 US disclosed
US-20060287274-A1 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2006-12-21 US disclosed
US-20060287281-A1 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2006-12-21 US disclosed
US-7109183-B2 Phosphohalohydrins, process for the production thereof and use thereof Institut National de la Sante et de la Recherchik Medicale (FR) 2006-09-19 US disclosed
US-7101711-B1 Phosphoepoxides, method for making same and uses INSTITUT NATIONAL DE LA SANTA ET DE LA RECHERCHE MEDICALE (FR) 2006-09-05 US disclosed
US-20040087555-A1 Phosphohalohydrins, process for the production thereof and use thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICATE (FR) 2004-05-06 US disclosed
US-6660723-B1 Activating primate gamma delta lymphocytes INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2003-12-09 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 (4 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-20060287274-A1 Phosphoepoxides, method for making same and uses CD4, CCR9, BCL9 BTN3A1 315/4885CYP3A4 1649/4885EPHX1 804/4885
US-20040087555-A1 Phosphohalohydrins, process for the production thereof and use thereof CD4, HRH3, HRH1 BTN3A1 24/4885CYP3A4 3816/4885EPHX1 2055/4885
US-20060287281-A1 Phosphohalohydrins, process for the production thereof and use thereof CD4, CCR9, BCL9 BTN3A1 15/4885CYP3A4 2131/4885EPHX1 1845/4885
US-20100068179-A1 Phosphohalohydrins, Process For The Production Thereof And Use Thereof CD4, CCR9, ICOS BTN3A1 16/4885CYP3A4 2655/4885EPHX1 1819/4885

“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.