SCHEMBL443437

SCHEMBL443437

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)([Se]C)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.35
P2RY2 P41231 4/20 0.34
P2RY4 P51582 3/20 0.34
NT5E P21589 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
P2RY6 Q15077 1/20 0.31
POLA1 P09884 1/20 0.31

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
SCHEMBL443438 0.88 P2RY14 (0.37) DUTP2RY2P2RY4NT5ECYP3A4
SCHEMBL442714 0.81 SLC28A1 (0.43) P2RY2P2RY4P2RY6
SCHEMBL6328518 0.80 DUT (0.50) DUTNT5ECYP3A4CYP2C9
SCHEMBL9174049 0.79 DUT (0.33) DUTP2RY2P2RY4NT5ECYP3A4
SCHEMBL9176009 0.76 NT5E (0.38) DUTP2RY2P2RY4NT5EP2RY6
SCHEMBL20603109 0.76 P2RY14 (0.38) DUTP2RY2P2RY4NT5ECYP3A4
SCHEMBL9738791 0.75 DUT (0.38) DUTNT5ECYP3A4CYP2C9
SCHEMBL9309424 0.73 DUT (0.35) DUTNT5ECYP3A4CYP2C9
SCHEMBL9310427 0.72 DUT (0.38) DUTP2RY2P2RY4NT5EP2RY6
SCHEMBL9494704 0.71 DUT (0.31) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354524-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-15 US disclosed
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-15 US disclosed
US-7982030-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-07-19 US disclosed
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-7592446-B2 Useful in structural determinations, particularly by X-ray crystallographic techniques; useful as food supplements GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-09-22 US disclosed
US-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-03-20 US disclosed
WO-2002077002-A2 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-10-03 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 (3 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-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids SELENOI, NT5C3B, RNGTT DUT 41/4885P2RY2 855/4885P2RY4 419/4885
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B DUT 37/4885P2RY2 964/4885P2RY4 444/4885
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B DUT 37/4885P2RY2 964/4885P2RY4 444/4885

“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.