SCHEMBL13252971

SCHEMBL13252971

O=C(O)CC/C=C\C[C@@H]1COC(c2ccccc2)O[C@@H]1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 17/20 0.74
▸ TBXA2R P21731 4/20 0.66
▸ PTGIS Q16647 5/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL13252910 1.00 TBXAS1 (0.74) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL10354335 1.00 TBXAS1 (0.74) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL9650298 0.93 TBXA2R (0.69) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL13252905 0.90 TBXAS1 (0.62) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL10471085 0.89 TBXAS1 (0.94) TBXAS1TBXA2RPTGIS
SCHEMBL13252899 0.89 TBXA2R (0.82) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL10075099 0.87 TBXAS1 (0.57) TBXAS1TBXA2RPTGISMEN1CYP1A2
SCHEMBL9161927 0.85 TBXAS1 (1.00) TBXAS1TBXA2RPTGIS
SCHEMBL10354163 0.84 TBXAS1 (0.73) TBXAS1TBXA2RPTGIS
SCHEMBL10466750 0.83 CYP1A2 (0.68) TBXAS1TBXA2RPTGISCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 — — 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 (1 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-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS PPARD, PPARG, PPARA TBXAS1 81/4885TBXA2R 48/4885PTGIS 203/4885

“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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