SCHEMBL6493546

SCHEMBL6493546

COc1ccc(OC)c(-c2ccc(C(C)=CC(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
BACE1 P56817 1/20 0.48
LTB4R Q15722 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 1/20 0.45
NQO2 P16083 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6493632 1.00 MAPT (0.49) MAPTALDH1A1HPGDBACE1LTB4R
SCHEMBL6486330 0.85 ALDH1A1 (0.50) MAPTALDH1A1HPGDLTB4R
SCHEMBL6486328 0.85 ALDH1A1 (0.50) MAPTALDH1A1HPGDLTB4R
SCHEMBL29788029 0.83 ALDH1A1 (0.63) MAPTALDH1A1HPGDBACE1HTT
SCHEMBL2039734 0.83 ALDH1A1 (0.63) MAPTALDH1A1HPGDBACE1HTT
SCHEMBL8307066 0.83 KMT2A (0.56) MAPTALDH1A1HPGDBACE1HTT
SCHEMBL6655419 0.81 CA1 (0.59) MAPTALDH1A1NQO2
SCHEMBL6655424 0.81 CA1 (0.59) MAPTALDH1A1NQO2
SCHEMBL6655426 0.81 CA1 (0.59) MAPTALDH1A1NQO2
SCHEMBL6484081 0.81 NQO2 (0.47) MAPTALDH1A1HPGDBACE1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
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 (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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAPT 4379/4885ALDH1A1 3968/4885HPGD 1678/4885
US-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD MAPT 3845/4885ALDH1A1 257/4885HPGD 292/4885

“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.