SCHEMBL3965713

SCHEMBL3965713

CCCCNCc1cccc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CHRM2 P08172 12/20 0.58
BCHE P06276 6/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
ACHE P22303 4/20 0.58
CHRM4 P08173 4/20 0.58
CHRM5 P08912 4/20 0.58
CHRM1 P11229 4/20 0.58
CHRM3 P20309 4/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
THPO P40225 1/20 0.58
RECQL P46063 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58

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
SCHEMBL3962959 0.94 CHRM2 (0.63) ALDH1A1CHRM2BCHEGRIN1GRIN2A
SCHEMBL13330463 0.90 ALDH1A1 (0.63) ALDH1A1CHRM2BCHEGRIN1GRIN2A
SCHEMBL3268488 0.85 CHRM2 (0.78) CHRM2BCHEGRIN1GRIN2AACHE
SCHEMBL7000552 0.85 KDM4E (0.69) ALDH1A1BCHECYP3A4CYP2D6TSHR
SCHEMBL31711441 0.83 KDM4E (0.60) ALDH1A1BCHECYP3A4CYP2D6TSHR
SCHEMBL917350 0.80 ALDH1A1 (0.56) ALDH1A1CHRM2BCHEGRIN1GRIN2A
SCHEMBL28058011 0.80 ALDH1A1 (0.56) ALDH1A1CHRM2BCHEGRIN1GRIN2A
SCHEMBL8655974 0.79 BCHE (0.82) CHRM2BCHEGRIN1GRIN2A
SCHEMBL27142965 0.79 SMPD1 (0.56) ALDH1A1BCHEHTR2AHTR2C
SCHEMBL13570066 0.78 ALOX5 (0.60) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-7355069-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-08 US disclosed
EP-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 US disclosed
US-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance ASTRAZENECA AB (SE) 2005-11-17 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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 (5 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC ALDH1A1 323/4885CHRM2 2845/4885BCHE 1133/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG ALDH1A1 1343/4885CHRM2 2177/4885BCHE 4358/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A ALDH1A1 230/4885CHRM2 2535/4885BCHE 911/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP ALDH1A1 1921/4885CHRM2 4274/4885BCHE 2688/4885
US-20050256198-A1 Ortho-substituted benzoic acid derivatives for the treatmetn of insulin resistance GPR119, INSR, IRS1 ALDH1A1 1160/4885CHRM2 1268/4885BCHE 2365/4885

“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.