SCHEMBL3371640

SCHEMBL3371640

CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)c2c1CCCC2)OCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.49
RXRG P48443 11/20 0.49
RXRB P28702 10/20 0.49
NR1H4 Q96RI1 1/20 0.46
FFAR4 Q5NUL3 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3372334 0.94 RXRA (0.47) RXRARXRGRXRBNR1H4FFAR4
SCHEMBL3374141 0.82 NR1H4 (0.49) NR1H4FFAR4ALDH1A1KDM4ELMNA
SCHEMBL3374148 0.82 NR1H4 (0.49) NR1H4FFAR4ALDH1A1KDM4ELMNA
SCHEMBL4417893 0.81 RXRA (0.50) RXRARXRGRXRBFFAR4PPARG
SCHEMBL4417889 0.81 RXRA (0.50) RXRARXRGRXRBFFAR4PPARG
SCHEMBL27506711 0.81 NR1H4 (0.53) RXRARXRGRXRBNR1H4ALDH1A1
SCHEMBL5017432 0.80 NR1H4 (0.58) NR1H4PPARGPPARDALDH1A1LMNA
SCHEMBL3372112 0.80 NR1H4 (0.58) NR1H4PPARGPPARDALDH1A1LMNA
SCHEMBL5017434 0.80 NR1H4 (0.58) NR1H4PPARGPPARDALDH1A1LMNA
SCHEMBL3370127 0.77 NR1H4 (0.55) RXRARXRGRXRBNR1H4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (2 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR RXRA 265/4885RXRG 527/4885RXRB 307/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG RXRA 26/4885RXRG 28/4885RXRB 19/4885

“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.