SCHEMBL12444484

SCHEMBL12444484

O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2cc(F)c(F)c(F)c2)O[C@@H]1c1ccccc1CO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.59
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TBXAS1 P24557 17/20 0.53
▸ PTGIS Q16647 3/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL12330021 0.92 TBXA2R (0.70) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12329694 0.86 TBXA2R (0.54) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL13252899 0.80 TBXA2R (0.82) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12444434 0.80 TBXA2R (0.78) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12330096 0.80 TBXA2R (0.78) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12330025 0.79 TBXA2R (0.74) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL12444494 0.78 TBXA2R (0.72) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL10354335 0.78 TBXAS1 (0.74) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL13252910 0.78 TBXAS1 (0.74) TBXA2RCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL13252971 0.78 TBXAS1 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 — — US disclosed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 — — US disclosed
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators EVOLVA SA (CH) 2013-10-10 — — US disclosed
US-20110178112-A1 PPAR Modulators EVOLVA SA (CH) 2011-07-21 — — 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 (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-20110178112-A1 PPAR Modulators PPARD, PPARG, PPARA TBXA2R 127/4885CYP1A2 1093/4885CYP3A4 866/4885
US-20140288110-A1 PPAR MODULATORS PPARD, PPARG, PPARA TBXA2R 127/4885CYP1A2 1093/4885CYP3A4 866/4885
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators PPARD, PPARG, PPARA TBXA2R 48/4885CYP1A2 592/4885CYP3A4 540/4885

“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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