SCHEMBL4164665

SCHEMBL4164665

CCOCCP(=O)(OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.56
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23430674 0.95 PPARD (0.52) PPARDTSHRTP53TDP1ALDH1A1
SCHEMBL4881306 0.90 PPARD (0.56) PPARDTSHRTP53TDP1ALDH1A1
SCHEMBL4882046 0.90 PPARD (0.56) PPARDTSHRTP53TDP1ALDH1A1
SCHEMBL19352052 0.86 PPARD (0.52) PPARDTSHRTP53TDP1CA12
SCHEMBL19316395 0.86 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL23786286 0.86 PPARD (0.52) PPARDTSHRTP53TDP1
SCHEMBL3220479 0.84 PPARD (0.50) PPARDTSHRTP53TDP1ALDH1A1
SCHEMBL16605635 0.82 CYP3A4 (0.52) PPARDTSHR
SCHEMBL2417030 0.82 PPARD (0.48) PPARDTSHRTP53TDP1MEN1
SCHEMBL14007050 0.82 PPARD (0.48) PPARDTSHRTP53TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 PPARD 4424/4885TSHR 3906/4885TP53 1861/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PPARD 4259/4885TSHR 4025/4885TP53 1586/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 PPARD 4259/4885TSHR 4025/4885TP53 1586/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 PPARD 4437/4885TSHR 3915/4885TP53 1381/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE PPARD 4241/4885TSHR 4778/4885TP53 1308/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE PPARD 4241/4885TSHR 4778/4885TP53 1308/4885

“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.