SCHEMBL6485756

SCHEMBL6485756

COc1ccc(C(C)C)cc1-c1ccc(/C(C)=C\CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
CTSA P10619 12/20 0.40
FYN P06241 1/20 0.40
CASR P41180 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CETP P11597 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL6485761 1.00 ERN1 (0.43) ERN1CTSAFYNCASRALDH1A1
SCHEMBL6484076 0.82 NQO2 (0.47) ALDH1A1DHFR
SCHEMBL6484081 0.82 NQO2 (0.47) ALDH1A1DHFR
SCHEMBL6484085 0.82 NQO2 (0.47) ALDH1A1DHFR
SCHEMBL6492644 0.81 ERN1 (0.47) ERN1ALDH1A1
SCHEMBL6492648 0.81 ERN1 (0.47) ERN1ALDH1A1
SCHEMBL6492649 0.81 ERN1 (0.47) ERN1ALDH1A1
SCHEMBL6493368 0.80 HTT (0.44)
SCHEMBL6493370 0.80 HTT (0.44)
SCHEMBL6493364 0.80 HTT (0.44)

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 ERN1 1741/4885CTSA 2128/4885FYN 3193/4885

“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.