SCHEMBL3273499

SCHEMBL3273499

CC(=O)Oc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.75
NPC1 O15118 3/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ELANE P08246 1/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL9510350 0.83 BACE1 (0.66) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL27935472 0.83 BACE1 (0.70) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL8145252 0.81 BACE1 (0.50) BACE1PDE4BPTPN1
SCHEMBL3824865 0.81 BACE1 (0.63) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL7160616 0.79 BACE1 (0.66) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL3785527 0.78 BACE1 (0.64) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL10479949 0.78 BACE1 (0.64) BACE1NPC1POLBKDM4ERAB9A
SCHEMBL8144121 0.78 BACE1 (0.47) BACE1PTPN1
SCHEMBL5989278 0.77 BACE1 (0.73) BACE1KDM4EMEN1KMT2AMAPT
SCHEMBL9628627 0.77 BACE1 (0.54) BACE1NPC1POLBKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 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-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA BACE1 1465/4885NPC1 500/4885POLB 869/4885
US-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD BACE1 4032/4885NPC1 721/4885POLB 1313/4885

“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.