SCHEMBL10075111

SCHEMBL10075111

O=C(O)COCC(=O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
CYP19A1 P11511 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
PAM P19021 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
ELANE P08246 1/20 0.43
PTPN7 P35236 2/20 0.42
FFAR1 O14842 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
PTPN12 Q05209 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL11437247 0.94 CYP19A1 (0.52) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL3438961 0.86 CYP19A1 (0.49) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL3380831 0.85 CYP19A1 (0.45) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL3438962 0.84 CYP19A1 (0.47) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL15908102 0.83 CYP19A1 (0.44) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL6662471 0.83 CYP3A4 (0.53) ALOX15FFAR1GAALMNA
SCHEMBL3818237 0.82 ELANE (0.50) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL766725 0.82 CYP19A1 (0.42) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL839138 0.81 ALDH1A1 (0.48) ALOX15CYP19A1PRSS1PRSS2PRSS3
SCHEMBL839681 0.81 TSHR (0.50) ALOX15CYP19A1PRSS1PRSS2PRSS3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150111-B1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2016-10-19 EP disclosed
US-20160193179-A1 Treatment of Cardiovascular Risk in Diabetic Patients SAKARIASSEN KJELL STEINAR (IT) 2016-07-07 US disclosed
US-20160193179-A1 Treatment of Cardiovascular Risk in Diabetic Patients SAKARIASSEN KJELL STEINAR (IT) 2016-07-07 US disclosed
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 US disclosed
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 US disclosed
WO-2015193630-A1 TREATMENT OF CARDIOVASCULAR RISK IN PATIENTS WITH CARDIOVASCULAR DISEASE AND/OR DIABETES EVOLVA SA (CH) 2015-12-23 WO disclosed
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2015-06-11 US disclosed
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2015-06-11 US disclosed
US-8952053-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2015-02-10 US disclosed
US-8952053-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2015-02-10 US disclosed
US-20120252836-A1 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2012-10-04 US disclosed
US-20120252836-A1 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2012-10-04 US disclosed
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2012-06-07 US disclosed
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2012-06-07 US disclosed
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-10-28 US disclosed
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-10-28 US disclosed
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 US disclosed
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 US disclosed
US-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-04-08 US disclosed
US-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-04-08 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 (7 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-20160193179-A1 Treatment of Cardiovascular Risk in Diabetic Patients P2RY12, P2RY13, P2RY6 ALOX15 33/4885CYP19A1 3114/4885PRSS1 1151/4885
US-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA ALOX15 159/4885CYP19A1 28/4885PRSS1 1498/4885
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA ALOX15 112/4885CYP19A1 43/4885PRSS1 1692/4885
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA ALOX15 112/4885CYP19A1 43/4885PRSS1 1692/4885
US-20120252836-A1 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA ALOX15 82/4885CYP19A1 52/4885PRSS1 1562/4885
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS PPARD, PPARG, PPARA ALOX15 217/4885CYP19A1 275/4885PRSS1 1772/4885
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA ALOX15 159/4885CYP19A1 28/4885PRSS1 1498/4885

“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.