SCHEMBL1947864

SCHEMBL1947864

COC(=O)COc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
LIPE Q05469 6/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL12565133 0.85 PPARD (0.44) PPARGPPARDPPARAPTGDR2CYP1A2
SCHEMBL1948088 0.84 ALDH1A1 (0.47) PTGDR2CYP1A2KDM4EKMT2AALDH1A1
SCHEMBL1946321 0.83 KDM4E (0.46) PTGDR2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1438988 0.81 CYP1A2 (0.45) LIPECYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1948590 0.79 ALDH1A1 (0.40) PPARDLIPECYP1A2HTTKDM4E
SCHEMBL23099930 0.77 CFTR (0.55) LIPECYP2C19KDM4EALDH1A1
SCHEMBL1438849 0.76 TSHR (0.38) LIPE
SCHEMBL2110431 0.76 SLC6A4 (0.47)
SCHEMBL29764068 0.76 DGAT1 (0.41) PTGDR2KDM4EKMT2AHIF1AALDH1A1
SCHEMBL2111434 0.75 PTGDR2 (0.47) PPARGPPARDPPARALIPEPTGDR2

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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
EP-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 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 (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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS HCAR2, PAH, PTGES2 PPARG 38/4885PPARD 404/4885PPARA 45/4885

“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.