SCHEMBL10075129

SCHEMBL10075129

C[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2ccccc2O)O1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 7/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ TBXAS1 P24557 12/20 0.53

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
SCHEMBL12444490 0.94 CYP1A2 (0.73) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12329706 0.86 TBXA2R (0.67) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12444446 0.86 TBXA2R (0.67) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL10350317 0.86 CYP1A2 (0.72) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12330318 0.86 TBXA2R (0.67) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL10350639 0.86 TBXA2R (0.67) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL13252899 0.86 TBXA2R (0.82) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL10401494 0.84 TBXA2R (0.68) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL10474732 0.84 TBXA2R (0.65) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12675684 0.84 CYP1A2 (0.89) TBXA2RCYP1A2CYP3A4MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130253045-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses EVOLVA SA (CH) 2013-09-26 — — US disclosed
US-20130197030-A1 Substituted 1,3-Dioxanes and There Uses EVOLVA SA (CH) 2013-08-01 — — US disclosed
US-8486994-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2013-07-16 — — 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-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES EVOLVA SA (CH) 2010-10-28 — — 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-20100087517-A1 PRODRUGS OF SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 37/4885CYP3A4 199/4885
US-20120142766-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 96/4885CYP3A4 434/4885
US-20130197030-A1 Substituted 1,3-Dioxanes and There Uses TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 92/4885CYP3A4 426/4885
US-20100273824-A1 SUBSTITUTED 1,3-DIOXANES AND THEIR USES TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 96/4885CYP3A4 434/4885
US-20120252836-A1 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 112/4885CYP3A4 505/4885
US-20130253045-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 37/4885CYP3A4 199/4885
US-20150158838-A1 Prodrugs of Substituted 1,3-Dioxanes and Their Uses TBXA2R, PPARG, PPARA TBXA2R 1/4885CYP1A2 37/4885CYP3A4 199/4885

“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.

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