SCHEMBL3523699

SCHEMBL3523699

COC(=O)C(C)(C)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.61
MAPT P10636 5/20 0.56
FFAR1 O14842 1/20 0.54
PPARG P37231 7/20 0.53
PPARA Q07869 7/20 0.53
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL4391433 0.91 PPARG (0.60) PPARGPPARA
SCHEMBL3522579 0.91 KDR (0.65) KDRMAPTFFAR1PPARGPPARA
SCHEMBL27650832 0.82 KDR (0.54) KDRMAPTFFAR1PPARGPPARA
SCHEMBL4394279 0.82 PPARA (0.66) PPARGPPARA
SCHEMBL3528719 0.81 KDR (0.76) KDRMAPTFFAR1PPARGPPARA
SCHEMBL5738898 0.80 PPARA (0.66) KDRMAPTFFAR1PPARGPPARA
SCHEMBL3526019 0.80 KDR (0.73) KDRMAPTFFAR1PPARGPPARA
SCHEMBL5802990 0.79 KDR (0.72) KDRMAPTFFAR1PPARGPPARA
SCHEMBL3523856 0.79 KDR (0.51) KDRMAPTFFAR1PPARGPPARA
SCHEMBL3523858 0.79 KDR (0.51) KDRMAPTFFAR1PPARGPPARA

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-7652061-B2 N-acyl nitrogen heterocycles as ligands of peroxisome proliferator-activated receptors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors NOVARTIS AG (CH) 2006-06-22 US disclosed
EP-1638963-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS Novartis AG (CH) 2006-03-29 EP disclosed
WO-2004103995-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2004-12-02 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-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors PPARG, PPARA, PPARD KDR 838/4885MAPT 3539/4885FFAR1 7/4885

“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.