SCHEMBL6486306

SCHEMBL6486306

O=Cc1cc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CYP2A6 P11509 1/20 0.62
ALOX5 P09917 2/20 0.52
LMNA P02545 2/20 0.52
TRPA1 O75762 1/20 0.52
MAPK1 P28482 1/20 0.52
TTR P02766 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MAOB P27338 3/20 0.48
PPARG P37231 1/20 0.47
NFE2L2 Q16236 2/20 0.46
CYP19A1 P11511 2/20 0.46
MAOA P21397 2/20 0.46
RELA Q04206 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45

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
SCHEMBL6486311 1.00 ALDH1A1 (0.62) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL6487475 0.89 ALDH1A1 (0.55) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL16406669 0.89 ALDH1A1 (0.50) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL6487479 0.89 ALDH1A1 (0.55) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL6527327 0.88 ALDH1A1 (0.59) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL6527325 0.88 ALDH1A1 (0.59) ALDH1A1CYP2A6ALOX5LMNATRPA1
(Z)-1,2-Diphenylethene SCHEMBL29118819 0.87 ALDH1A1 (0.82) ALDH1A1CYP2A6ALOX5LMNATRPA1
SCHEMBL3257028 0.87 MAOB (0.61) ALDH1A1ALOX5TTRPTGS1PTGS2
SCHEMBL3257033 0.87 MAOB (0.61) ALDH1A1ALOX5TTRPTGS1PTGS2
SCHEMBL18002139 0.84 NFE2L2 (0.47) ALDH1A1CYP2A6ALOX5LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD ALDH1A1 257/4885CYP2A6 190/4885ALOX5 579/4885

“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.